data_2kwh_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 2kwh _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . 0.573 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 0.1 OUTLIER . . . . . 0 CA--C 1.522 -0.111 0 CA-C-O 121.179 0.514 . . . . 0.0 109.753 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -69.16 -18.21 63.91 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.79 174.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.62 -52.88 42.46 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.819 176.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.431 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -67.63 -29.26 44.7 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 177.569 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . 0.632 ' O ' ' HG3' ' A' ' 403' ' ' ARG . 32.4 mmtp -60.21 -50.81 72.21 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.842 178.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -66.84 -44.63 80.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.095 0.474 . . . . 0.0 110.41 177.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -58.13 -50.33 73.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.54 178.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 402' ' ' ILE . . . . . 0.495 ' HA ' ' HB2' ' A' ' 405' ' ' GLN . 12.1 tt -64.97 -26.09 39.23 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.479 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.623 -174.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.632 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 82.5 mtp180 -63.13 -47.96 80.53 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 173.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . 0.434 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 44.4 mtm180 -69.52 -44.87 70.15 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.099 0.476 . . . . 0.0 110.318 178.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 405' ' ' GLN . . . . . 0.495 ' HB2' ' HA ' ' A' ' 402' ' ' ILE . 74.4 mt-30 -60.87 -55.28 34.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.429 -0.805 . . . . 0.0 112.024 -179.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -61.95 -29.85 70.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.811 0.339 . . . . 0.0 110.849 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.507 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.9 t80 -60.03 -56.72 18.17 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.169 0.509 . . . . 0.0 109.733 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . 0.619 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.3 pp -74.01 -29.78 62.12 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.185 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 409' ' ' LEU . . . . . 0.488 ' N ' HD11 ' A' ' 408' ' ' LEU . 5.6 tt -62.07 -50.22 72.85 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 -179.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -61.56 -40.98 96.67 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.999 0.428 . . . . 0.0 110.153 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 28.4 t -58.99 -62.31 1.98 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.943 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 4.2 pp -65.87 -22.69 66.54 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 120.713 0.292 . . . . 0.0 111.067 -177.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . 0.412 ' HD2' HD13 ' A' ' 416' ' ' LEU . 18.2 t-160 -65.37 -34.11 77.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.108 0.48 . . . . 0.0 110.214 175.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -80.14 -22.05 42.48 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.977 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -65.18 -13.24 57.74 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.888 0.375 . . . . 0.0 111.348 174.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.412 HD13 ' HD2' ' A' ' 413' ' ' HIS . 72.8 mt . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.955 177.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . 0.578 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 10.1 t70 . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 83.7 mt -100.22 -13.38 18.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.202 0.525 . . . . 0.0 110.64 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 9.4 t -73.91 -47.81 35.24 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.0 -172.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . 0.612 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 12.0 mptt -62.86 -34.52 77.54 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.31 -177.051 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 426' ' ' GLU . . . . . 0.559 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 28.9 tt0 -74.61 -43.68 54.32 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.883 0.373 . . . . 0.0 110.398 -174.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -62.02 -31.61 72.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.479 0.657 . . . . 0.0 110.113 173.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 428' ' ' ARG . . . . . 0.449 ' HD2' HD22 ' A' ' 412' ' ' LEU . 26.3 ttm180 -75.02 -44.2 49.37 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.755 -177.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 3.5 pp -62.49 -30.95 71.64 Favored 'General case' 0 CA--C 1.513 -0.447 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.05 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -73.92 -32.68 63.64 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.308 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.474 ' O ' HG13 ' A' ' 435' ' ' ILE . 9.7 tp10 -63.59 -53.16 55.99 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 174.044 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 61.5 t -57.68 -45.27 86.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.603 177.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -56.97 -47.71 80.1 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.559 -178.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 434' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -75.73 -26.3 57.35 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.959 -173.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 435' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 431' ' ' GLU . 82.4 mt -71.02 -55.71 13.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 C-N-CA 121.121 -0.232 . . . . 0.0 110.991 177.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . 0.431 HD13 ' N ' ' A' ' 437' ' ' THR . 4.3 pp -59.18 -39.41 82.46 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 120.793 0.33 . . . . 0.0 110.582 -178.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 437' ' ' THR . . . . . 0.431 ' N ' HD13 ' A' ' 436' ' ' LEU . 73.0 m -66.19 -56.99 8.6 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.745 179.009 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.97 -40.25 92.69 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -175.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 439' ' ' LEU . . . . . 0.469 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 38.2 tp -61.07 -55.7 29.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.277 -177.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 440' ' ' LYS . . . . . 0.431 ' HB3' HG13 ' A' ' 398' ' ' ILE . 18.5 pttp -65.72 -28.5 69.1 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.968 0.413 . . . . 0.0 111.095 -175.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -74.39 -46.57 39.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.455 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -65.75 -28.68 69.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.578 0.228 . . . . 0.0 111.508 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 64.0 mt . . . . . 0 C--N 1.325 -0.476 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -175.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 . . . . . 0 N--CA 1.448 -0.56 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -70.79 -29.41 65.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.624 173.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -58.9 -56.05 27.47 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 114.932 -1.031 . . . . 0.0 112.008 178.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.604 HD12 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -70.55 -32.9 51.29 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.66 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -179.822 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . 0.842 ' HA ' ' HE3' ' A' ' 399' ' ' LYS . 0.3 OUTLIER -53.54 -59.17 4.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.885 0.374 . . . . 0.0 111.258 -178.122 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -64.73 -49.36 71.12 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-O 121.158 0.504 . . . . 0.0 110.672 -178.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 401' ' ' GLU . . . . . 0.579 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 11.8 mm-40 -60.11 -42.71 95.31 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.898 -178.322 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 402' ' ' ILE . . . . . 0.604 HD12 HD12 ' A' ' 398' ' ' ILE . 12.1 tt -65.16 -33.23 62.29 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.329 0 CA-C-N 117.866 0.303 . . . . 0.0 110.932 -176.29 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.517 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 52.0 mtp180 -59.24 -44.0 92.36 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 175.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . 0.427 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 27.9 mtm180 -75.23 -40.28 59.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.178 179.177 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 405' ' ' GLN . . . . . 0.579 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 46.3 mt-30 -62.61 -53.28 56.93 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.522 178.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -60.2 -32.52 71.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.96 0.41 . . . . 0.0 110.25 177.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.517 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.5 t80 -60.61 -53.86 52.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.123 178.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . 0.482 HD11 ' N ' ' A' ' 409' ' ' LEU . 2.8 pp -75.4 -28.22 59.36 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 121.054 -0.258 . . . . 0.0 111.53 -179.322 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 409' ' ' LEU . . . . . 0.482 ' N ' HD11 ' A' ' 408' ' ' LEU . 6.3 tt -61.49 -46.49 89.79 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 175.194 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -59.53 -39.13 82.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.187 177.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 16.8 t -65.87 -58.43 5.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.203 -179.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.626 ' CD1' ' HB3' ' A' ' 429' ' ' LEU . 4.1 pp -66.17 -21.96 66.34 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 121.829 -0.544 . . . . 0.0 110.743 -179.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 -66.55 -39.37 88.52 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.895 174.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -80.07 -10.09 59.74 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.76 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -71.6 -18.73 62.21 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.931 0.396 . . . . 0.0 110.394 171.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.566 HD23 ' HB2' ' A' ' 425' ' ' LYS . 84.1 mt . . . . . 0 N--CA 1.466 0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.936 -178.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . 0.529 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 12.3 t70 . . . . . 0 CA--C 1.52 -0.181 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.6 mp -108.64 -8.23 15.49 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.409 0.623 . . . . 0.0 109.532 177.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 35.1 t -67.57 -49.62 62.35 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.64 -176.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . 0.566 ' HB2' HD23 ' A' ' 416' ' ' LEU . 33.4 mmtm -65.1 -30.29 71.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.112 -177.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 426' ' ' GLU . . . . . 0.551 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 10.7 tp10 -64.27 -53.18 53.01 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.988 -176.011 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -70.01 -27.38 64.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.213 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 -76.95 -43.22 36.11 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.901 -176.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . 0.626 ' HB3' ' CD1' ' A' ' 412' ' ' LEU . 4.0 pp -60.99 -38.7 86.93 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 177.342 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -71.43 -28.47 64.0 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 120.531 -0.468 . . . . 0.0 109.806 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.606 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 41.4 tt0 -73.45 -50.45 21.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.66 177.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.441 HG13 ' HA ' ' A' ' 429' ' ' LEU . 10.2 p -65.06 -32.28 57.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 178.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -65.66 -48.61 71.54 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.046 177.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 434' ' ' ARG . . . . . 0.606 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 24.5 ptt180 -63.22 -31.83 73.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.768 -176.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 435' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 431' ' ' GLU . 82.1 mt -69.93 -55.29 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.731 -0.213 . . . . 0.0 110.82 179.247 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . 0.496 ' O ' ' HG2' ' A' ' 440' ' ' LYS . 4.6 pp -63.17 -31.42 72.56 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 121.13 -0.228 . . . . 0.0 110.867 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 437' ' ' THR . . . . . 0.611 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 85.5 m -70.82 -53.36 15.61 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.18 177.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.5 -32.27 71.29 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.025 0.44 . . . . 0.0 110.596 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 439' ' ' LEU . . . . . 0.501 ' O ' HD23 ' A' ' 443' ' ' LEU . 30.2 tp -68.77 -56.58 7.6 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.54 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 440' ' ' LYS . . . . . 0.611 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 58.1 pttt -62.55 -44.25 96.8 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.676 -0.41 . . . . 0.0 111.669 -177.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 441' ' ' ARG . . . . . 0.437 ' HG2' ' O ' ' A' ' 437' ' ' THR . 16.8 mmm180 -66.78 -36.46 82.47 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.518 -174.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -94.55 -2.49 51.48 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 121.078 -0.249 . . . . 0.0 111.574 -177.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . 0.501 HD23 ' O ' ' A' ' 439' ' ' LEU . 4.5 mm? . . . . . 0 C--N 1.327 -0.393 0 CA-C-O 121.014 0.435 . . . . 0.0 110.155 175.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . 0.632 ' HA ' ' HB2' ' A' ' 399' ' ' LYS . . . -65.91 -12.62 56.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.261 174.181 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -59.85 -55.22 31.62 Favored Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 177.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.463 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -73.49 -32.79 37.73 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.65 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 176.757 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . 0.632 ' HB2' ' HA ' ' A' ' 396' ' ' ALA . 1.5 mptm? -60.52 -48.68 80.69 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.678 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -69.63 -44.61 70.27 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-O 120.923 0.392 . . . . 0.0 110.36 178.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 401' ' ' GLU . . . . . 0.491 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 7.4 mm-40 -58.31 -55.27 37.14 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.026 177.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 402' ' ' ILE . . . . . 0.406 ' HA ' ' HB2' ' A' ' 405' ' ' GLN . 11.4 tt -59.44 -29.02 41.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 O-C-N 123.172 0.295 . . . . 0.0 110.98 -175.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.522 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 88.2 mtt180 -59.73 -51.47 69.63 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.426 -0.51 . . . . 0.0 109.986 173.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . 0.523 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 54.3 mtm180 -75.0 -38.88 61.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.811 -178.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 405' ' ' GLN . . . . . 0.491 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 92.3 mt-30 -63.15 -53.72 48.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.209 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -61.64 -30.17 70.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.889 0.376 . . . . 0.0 110.19 177.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.522 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.1 t80 -62.9 -55.26 27.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.042 179.037 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . 0.569 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.8 pp -73.5 -30.29 63.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.975 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 409' ' ' LEU . . . . . 0.533 ' N ' HD11 ' A' ' 408' ' ' LEU . 8.2 tt -61.17 -48.27 82.33 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 175.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -59.19 -38.55 80.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.479 176.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 411' ' ' SER . . . . . 0.585 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 41.0 m -63.52 -60.57 3.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.028 -179.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.61 ' CD1' ' HB3' ' A' ' 429' ' ' LEU . 3.6 pp -70.08 -14.64 62.76 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.315 -0.554 . . . . 0.0 111.38 -179.06 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . 0.509 ' HD2' HD12 ' A' ' 416' ' ' LEU . 17.2 t-160 -73.82 -40.39 63.37 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 174.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 414' ' ' ARG . . . . . 0.585 ' HG2' ' O ' ' A' ' 411' ' ' SER . 15.6 ptm180 -77.81 -13.1 60.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.151 0.501 . . . . 0.0 109.981 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.74 -20.71 65.97 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.568 170.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.509 HD12 ' HD2' ' A' ' 413' ' ' HIS . 38.5 mt . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.006 -176.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . 0.854 ' HB3' ' HD2' ' A' ' 425' ' ' LYS . 3.4 m-20 . . . . . 0 N--CA 1.449 -0.493 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -59.16 -32.02 69.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.789 -175.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 11.5 p -64.48 -33.67 76.42 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.209 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . 0.854 ' HD2' ' HB3' ' A' ' 422' ' ' ASP . 91.1 mttt -69.99 -29.67 66.81 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.816 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 426' ' ' GLU . . . . . 0.497 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 46.1 mt-10 -67.56 -43.54 80.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.546 0.689 . . . . 0.0 109.609 176.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -65.57 -28.6 69.26 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.105 176.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 428' ' ' ARG . . . . . 0.497 ' O ' HG23 ' A' ' 432' ' ' VAL . 57.7 mtt180 -72.6 -52.19 16.5 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.707 -179.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . 0.61 ' HB3' ' CD1' ' A' ' 412' ' ' LEU . 4.5 pp -59.33 -30.86 68.67 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.429 -179.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 430' ' ' TRP . . . . . 0.404 ' N ' HD11 ' A' ' 429' ' ' LEU . 2.2 t90 -71.61 -37.42 70.94 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.444 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.596 ' HA ' ' HG2' ' A' ' 434' ' ' ARG . 30.1 tt0 -70.23 -42.84 71.73 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 120.571 -0.451 . . . . 0.0 109.79 176.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 428' ' ' ARG . 60.2 t -56.71 -44.16 80.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.994 0.426 . . . . 0.0 109.998 176.166 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -64.34 -43.32 94.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.418 -178.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 434' ' ' ARG . . . . . 0.596 ' HG2' ' HA ' ' A' ' 431' ' ' GLU . 37.6 ptt180 -71.54 -28.34 63.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.647 -176.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 435' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 431' ' ' GLU . 83.2 mt -70.5 -56.05 12.31 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.129 0 CA-C-N 116.795 -0.184 . . . . 0.0 110.522 177.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . 0.501 ' O ' ' HG2' ' A' ' 440' ' ' LYS . 4.4 pp -58.62 -33.13 69.7 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.661 0.267 . . . . 0.0 110.74 -177.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 437' ' ' THR . . . . . 0.571 ' O ' ' HG2' ' A' ' 441' ' ' ARG . 84.4 m -68.09 -57.1 6.64 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.672 177.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -63.4 -35.06 79.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.532 -176.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 439' ' ' LEU . . . . . 0.413 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 33.4 tp -64.09 -53.76 44.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.814 -176.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 440' ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' A' ' 436' ' ' LEU . 52.6 pttt -64.54 -26.56 68.47 Favored 'General case' 0 CA--C 1.521 -0.171 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.695 -178.151 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 441' ' ' ARG . . . . . 0.571 ' HG2' ' O ' ' A' ' 437' ' ' THR . 38.7 mmt180 -68.0 -49.73 59.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.568 177.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -73.05 -11.99 60.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.164 -0.335 . . . . 0.0 111.67 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 84.9 mt . . . . . 0 C--N 1.326 -0.424 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . 0.758 ' HA ' HD23 ' A' ' 443' ' ' LEU . 9.6 mm100 . . . . . 0 C--O 1.234 0.269 0 CA-C-O 121.088 0.471 . . . . 0.0 110.399 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -66.73 -8.58 29.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.898 175.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.86 -63.17 5.01 Favored Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.609 HD13 HD11 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -74.63 -30.66 25.44 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.674 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 177.296 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . 0.865 ' HE2' ' HA ' ' A' ' 399' ' ' LYS . 0.1 OUTLIER -58.26 -56.73 18.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.928 0.394 . . . . 0.0 111.427 -176.421 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -77.68 -33.47 53.28 Favored 'General case' 0 N--CA 1.446 -0.646 0 O-C-N 122.074 -0.391 . . . . 0.0 111.122 -177.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 401' ' ' GLU . . . . . 0.508 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 19.3 mm-40 -72.92 -30.37 63.85 Favored 'General case' 0 C--O 1.222 -0.372 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.499 178.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 402' ' ' ILE . . . . . 0.609 HD11 HD13 ' A' ' 398' ' ' ILE . 10.2 tt -69.68 -30.42 44.85 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.275 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 176.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.609 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 82.9 mtp180 -56.58 -46.93 80.51 Favored 'General case' 0 C--N 1.334 -0.107 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 171.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . 0.448 ' HD2' ' OE2' ' A' ' 401' ' ' GLU . 90.5 mtt180 -65.36 -54.49 28.04 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.293 176.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 405' ' ' GLN . . . . . 0.568 ' O ' ' HB2' ' A' ' 409' ' ' LEU . 47.6 mt-30 -62.6 -35.22 78.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.045 -174.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . 0.482 ' HG3' HG12 ' A' ' 402' ' ' ILE . 47.2 mt-10 -80.38 -25.3 39.21 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.817 175.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.609 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 9.4 t80 -62.67 -55.04 30.54 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 178.149 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . 0.549 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.7 pp -72.25 -26.69 62.1 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.829 177.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 409' ' ' LEU . . . . . 0.568 ' HB2' ' O ' ' A' ' 405' ' ' GLN . 18.0 tp -59.39 -46.23 89.25 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.073 0.463 . . . . 0.0 109.806 176.196 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -62.89 -43.49 98.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.485 177.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 50.4 m -61.68 -55.5 29.75 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.799 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.77 HD11 ' HB3' ' A' ' 429' ' ' LEU . 4.4 pp -66.89 -19.75 65.79 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 120.814 0.34 . . . . 0.0 111.177 -177.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . 0.415 ' N ' HD13 ' A' ' 412' ' ' LEU . 10.2 m170 -69.67 -43.5 72.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.907 0.384 . . . . 0.0 110.172 172.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -71.66 -21.76 61.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.438 177.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.77 -41.54 97.83 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.128 0.49 . . . . 0.0 110.351 170.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 86.9 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.433 -179.421 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 13.2 t0 . . . . . 0 N--CA 1.451 -0.386 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -69.82 -34.59 73.9 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.576 -176.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 22.6 t -65.38 -45.25 84.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.098 -178.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.99 -34.32 77.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.033 178.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 426' ' ' GLU . . . . . 0.648 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 35.7 tt0 -73.28 -43.98 60.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.939 0.4 . . . . 0.0 110.517 -176.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -65.87 -26.03 67.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.085 0.469 . . . . 0.0 109.873 175.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -73.99 -43.35 58.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.418 -178.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . 0.77 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.5 pp -63.74 -36.59 84.38 Favored 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 120.414 -0.515 . . . . 0.0 110.739 -179.029 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 430' ' ' TRP . . . . . 0.518 ' N ' HD13 ' A' ' 429' ' ' LEU . 1.7 t90 -79.25 -25.71 42.54 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 121.056 0.455 . . . . 0.0 110.195 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.623 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 43.3 tt0 -66.14 -53.19 40.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.35 177.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.418 HG11 HD13 ' A' ' 408' ' ' LEU . 32.3 m -70.78 -32.91 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 CA-C-O 120.829 0.347 . . . . 0.0 110.822 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -64.82 -43.46 93.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.525 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 434' ' ' ARG . . . . . 0.623 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 32.4 ptt180 -67.65 -34.49 77.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.796 0.331 . . . . 0.0 110.537 -178.206 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 435' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 431' ' ' GLU . 82.6 mt -68.17 -53.6 28.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.01 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . 0.476 ' O ' ' HG2' ' A' ' 440' ' ' LYS . 3.8 pp -61.03 -38.41 86.04 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.261 -178.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 61.9 m -68.21 -47.05 68.91 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.231 -177.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -57.4 -48.15 79.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.97 0.414 . . . . 0.0 110.776 -178.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 47.6 tp -66.2 -50.29 64.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.711 -177.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 440' ' ' LYS . . . . . 0.533 ' HB3' HG13 ' A' ' 398' ' ' ILE . 21.3 ptmt -61.24 -32.3 72.1 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.699 0.285 . . . . 0.0 111.573 -174.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -68.96 -56.95 6.24 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.822 -178.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -68.05 -21.3 65.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.796 0.332 . . . . 0.0 111.534 -177.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . 0.758 HD23 ' HA ' ' A' ' 395' ' ' GLN . 61.1 tp . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.965 -176.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 18.1 tp60 . . . . . 0 C--O 1.236 0.373 0 CA-C-O 121.585 0.707 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -68.1 -10.5 54.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.466 176.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.38 -59.86 8.29 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 176.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -31.53 52.94 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.711 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 176.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 399' ' ' LYS . 0.1 OUTLIER -60.62 -53.12 61.26 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.689 -179.824 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -65.49 -49.07 70.4 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.323 0.582 . . . . 0.0 109.953 176.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -57.74 -49.44 76.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.156 -178.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 402' ' ' ILE . . . . . . . . . . . . . 11.9 tt -62.82 -30.72 50.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.209 0.052 . . . . 0.0 111.092 -175.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.547 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 57.5 mtp180 -58.31 -47.61 83.13 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 174.172 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . 0.507 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 14.2 mmt180 -74.42 -41.27 61.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.583 -179.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 405' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -64.15 -48.34 76.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.933 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.49 -28.5 68.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.813 0.34 . . . . 0.0 110.332 177.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.547 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 1.9 t80 -66.06 -52.26 50.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.572 178.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . 0.629 HD12 HG13 ' A' ' 432' ' ' VAL . 2.5 pp -72.99 -32.5 65.2 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.857 179.733 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 409' ' ' LEU . . . . . 0.599 ' N ' HD11 ' A' ' 408' ' ' LEU . 6.9 tt -60.36 -49.0 79.33 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 175.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -54.19 -47.02 72.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.962 175.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 36.7 m -60.94 -58.42 8.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.259 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 4.3 pp -68.15 -20.44 64.89 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 120.884 0.373 . . . . 0.0 111.38 -179.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . 0.441 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 19.6 t-160 -66.9 -35.61 80.39 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 174.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -77.94 -23.62 48.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.821 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 415' ' ' ASP . . . . . 0.526 ' OD2' ' HA ' ' A' ' 412' ' ' LEU . 64.9 m-20 -65.58 -12.71 55.56 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.973 176.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.559 HD23 ' HB2' ' A' ' 425' ' ' LYS . 96.4 mt . . . . . 0 C--N 1.328 -0.356 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -176.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . 0.475 ' OD2' ' HG2' ' A' ' 425' ' ' LYS . 18.5 t70 . . . . . 0 N--CA 1.456 -0.13 0 CA-C-O 120.805 0.336 . . . . 0.0 110.547 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 91.9 mt -110.57 -11.96 14.4 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.071 0.463 . . . . 0.0 110.625 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 424' ' ' SER . . . . . 0.503 ' O ' ' HG2' ' A' ' 428' ' ' ARG . 41.1 t -70.39 -44.57 67.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.329 -177.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . 0.559 ' HB2' HD23 ' A' ' 416' ' ' LEU . 68.0 mmtt -59.05 -30.17 67.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.532 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 426' ' ' GLU . . . . . 0.595 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 45.7 tt0 -71.05 -46.95 61.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.007 -178.377 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -59.37 -32.1 69.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.199 0.523 . . . . 0.0 110.307 173.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 428' ' ' ARG . . . . . 0.503 ' HG2' ' O ' ' A' ' 424' ' ' SER . 20.7 mmm180 -73.27 -46.31 50.6 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.085 -177.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.3 pp -62.91 -35.6 80.6 Favored 'General case' 0 CA--C 1.518 -0.288 0 C-N-CA 121.071 -0.252 . . . . 0.0 110.354 -178.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -75.06 -28.44 60.38 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.614 -178.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.693 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 5.6 tp10 -63.54 -53.26 54.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.215 0.531 . . . . 0.0 109.946 178.217 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.629 HG13 HD12 ' A' ' 408' ' ' LEU . 2.5 m -70.06 -34.18 58.34 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.57 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -62.9 -47.05 84.99 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 120.712 0.291 . . . . 0.0 110.318 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 434' ' ' ARG . . . . . 0.693 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 5.1 ptm180 -63.58 -36.61 84.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.1 -178.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 435' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 431' ' ' GLU . 73.7 mt -71.08 -57.56 7.33 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.569 -179.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . 0.447 HD11 ' N ' ' A' ' 437' ' ' THR . 4.5 pp -57.22 -34.99 69.12 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 117.642 0.201 . . . . 0.0 111.483 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 437' ' ' THR . . . . . 0.696 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 93.3 m -68.57 -55.19 12.47 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.791 178.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -63.49 -32.59 74.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.677 0.275 . . . . 0.0 111.226 -177.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 439' ' ' LEU . . . . . 0.497 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 26.0 tp -63.21 -56.92 12.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.811 -177.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 440' ' ' LYS . . . . . 0.696 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 55.6 pttt -59.45 -35.6 74.36 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.11 0.481 . . . . 0.0 110.889 -179.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 441' ' ' ARG . . . . . 0.439 ' HG2' ' O ' ' A' ' 437' ' ' THR . 51.6 mmm-85 -61.74 -60.0 4.33 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.954 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -71.92 -9.58 58.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.042 -0.527 . . . . 0.0 112.219 -174.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 74.3 mt . . . . . 0 C--N 1.324 -0.501 0 CA-C-O 120.731 0.301 . . . . 0.0 110.62 174.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -66.53 -14.83 62.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.291 175.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.18 -60.75 6.77 Favored Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 178.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.536 HD12 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -71.09 -29.26 35.94 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.497 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 177.305 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . 0.562 ' O ' HG21 ' A' ' 402' ' ' ILE . 0.4 OUTLIER -54.26 -58.06 8.81 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.985 0.421 . . . . 0.0 111.465 179.31 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -71.23 -41.44 70.18 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.799 -177.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -64.19 -38.12 89.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.507 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 402' ' ' ILE . . . . . 0.562 HG21 ' O ' ' A' ' 399' ' ' LYS . 11.1 tt -68.34 -31.89 53.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -178.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.551 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 92.2 mtt180 -59.66 -45.04 93.23 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.284 -0.567 . . . . 0.0 110.098 173.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . 0.415 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 31.9 mmm180 -73.27 -42.11 62.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.013 -178.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 405' ' ' GLN . . . . . 0.469 ' NE2' ' HB3' ' A' ' 436' ' ' LEU . 29.2 mt-30 -70.82 -46.74 62.24 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.552 -177.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -64.21 -28.99 70.12 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.164 177.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.551 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.3 t80 -61.57 -55.35 31.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.999 176.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . 0.555 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.4 pp -73.62 -32.44 64.06 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.236 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 409' ' ' LEU . . . . . 0.47 ' N ' HD12 ' A' ' 408' ' ' LEU . 6.0 tt -60.81 -48.41 81.93 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.018 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -61.62 -42.38 98.8 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.076 177.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 52.8 m -61.42 -54.87 37.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 4.3 pp -69.22 -21.43 63.93 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.887 0.375 . . . . 0.0 111.142 -178.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . 0.469 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 13.6 t-160 -68.12 -27.32 66.36 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 173.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -79.08 -27.73 43.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.412 175.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 415' ' ' ASP . . . . . 0.415 ' OD2' ' HA ' ' A' ' 412' ' ' LEU . 10.2 m-20 -70.23 -2.78 14.3 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.73 178.371 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 86.1 mt . . . . . 0 C--N 1.326 -0.443 0 CA-C-O 120.848 0.356 . . . . 0.0 110.582 179.122 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 14.6 t70 . . . . . 0 CA--C 1.517 -0.303 0 CA-C-O 120.664 0.269 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 91.8 mt -115.86 -12.16 11.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.107 175.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 39.4 m -64.61 -44.73 89.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.051 -176.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . 0.523 ' CG ' ' HB2' ' A' ' 412' ' ' LEU . 2.9 mppt? -74.71 -20.51 59.82 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.048 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 426' ' ' GLU . . . . . 0.661 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 33.7 tt0 -76.26 -43.23 42.81 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.427 0.632 . . . . 0.0 109.496 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -65.27 -28.36 69.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.823 172.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 428' ' ' ARG . . . . . 0.478 ' O ' ' HB3' ' A' ' 431' ' ' GLU . 62.8 ttt180 -81.87 -35.24 29.49 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.724 -177.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . 0.661 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.4 pp -62.51 -33.59 75.2 Favored 'General case' 0 CA--C 1.515 -0.367 0 C-N-CA 119.912 -0.715 . . . . 0.0 109.228 174.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 430' ' ' TRP . . . . . 0.411 ' N ' HD12 ' A' ' 429' ' ' LEU . 1.7 t90 -76.31 -26.75 56.14 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.859 176.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.561 ' O ' HG13 ' A' ' 435' ' ' ILE . 35.3 tt0 -62.25 -62.46 1.75 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.574 177.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 428' ' ' ARG . 2.7 m -67.5 -25.97 34.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.618 -178.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . 0.548 ' HB2' ' O ' ' A' ' 429' ' ' LEU . 8.1 tt0 -64.59 -47.6 78.04 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.26 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 434' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 19.7 ptt180 -72.43 -23.51 61.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.674 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 435' ' ' ILE . . . . . 0.561 HG13 ' O ' ' A' ' 431' ' ' GLU . 74.1 mt -69.8 -57.34 8.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.537 176.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . 0.489 HD21 HG13 ' A' ' 402' ' ' ILE . 4.5 pp -60.87 -33.56 73.26 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-O 120.723 0.296 . . . . 0.0 110.801 179.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 437' ' ' THR . . . . . 0.76 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 81.6 m -70.6 -52.43 21.5 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.371 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -59.7 -37.25 78.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.002 0.429 . . . . 0.0 110.485 -178.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 439' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' A' ' 443' ' ' LEU . 48.8 tp -63.59 -59.21 4.92 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.813 178.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 440' ' ' LYS . . . . . 0.76 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 63.8 pttt -62.39 -28.04 69.5 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -174.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 -73.92 -50.63 19.22 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.14 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -76.88 -1.95 31.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.876 0.369 . . . . 0.0 111.145 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 439' ' ' LEU . 1.2 tm? . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.773 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 . . . . . 0 CA--C 1.52 -0.196 0 CA-C-O 120.983 0.421 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -71.35 -16.67 62.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.234 173.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -66.34 -61.91 5.05 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.594 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.499 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -63.62 -34.01 65.14 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.39 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . 0.456 ' HA ' ' HD3' ' A' ' 399' ' ' LYS . 12.6 tppt? -55.64 -52.69 62.97 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 120.918 0.389 . . . . 0.0 111.004 177.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -66.88 -48.12 69.76 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.186 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -63.68 -39.01 93.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.115 -176.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 402' ' ' ILE . . . . . 0.434 HG13 ' HB2' ' A' ' 436' ' ' LEU . 14.2 tt -70.05 -35.46 64.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 C-N-CA 121.355 -0.138 . . . . 0.0 110.85 -176.402 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.612 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 74.6 mtt180 -62.8 -41.03 99.11 Favored 'General case' 0 CA--C 1.517 -0.323 0 C-N-CA 120.63 -0.428 . . . . 0.0 109.896 175.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . 0.482 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 35.0 mmt180 -70.24 -49.17 52.7 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.558 178.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 405' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -69.29 -42.51 75.39 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-N 116.132 -0.485 . . . . 0.0 112.217 -175.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -71.22 -26.28 62.86 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 119.858 -0.737 . . . . 0.0 110.437 178.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.612 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 1.1 t80 -63.74 -56.5 15.15 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 174.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . 0.544 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.6 pp -68.59 -32.16 71.86 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.963 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 409' ' ' LEU . . . . . 0.511 ' N ' HD12 ' A' ' 408' ' ' LEU . 7.3 tt -59.18 -50.77 72.77 Favored 'General case' 0 C--O 1.225 -0.214 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 175.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 410' ' ' ASN . . . . . 0.513 ' C ' HD21 ' A' ' 410' ' ' ASN . 0.2 OUTLIER -58.16 -48.2 81.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.86 177.34 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 28.0 m -55.07 -60.81 2.86 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.218 178.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.811 ' HB2' ' HG2' ' A' ' 425' ' ' LYS . 4.5 pp -67.01 -23.8 65.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.791 0.329 . . . . 0.0 111.171 -176.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . 0.413 ' N ' HD12 ' A' ' 412' ' ' LEU . 16.7 t-160 -63.0 -34.57 77.85 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.165 0.507 . . . . 0.0 109.978 174.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -78.34 -23.63 46.88 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.409 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -79.11 7.4 7.54 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.27 177.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.469 HD23 ' HB2' ' A' ' 425' ' ' LYS . 96.9 mt . . . . . 0 C--N 1.323 -0.552 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -178.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 14.4 t70 . . . . . 0 N--CA 1.455 -0.217 0 CA-C-O 121.034 0.445 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.6 mp -113.16 -7.91 13.59 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.453 0.644 . . . . 0.0 109.379 176.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 22.9 t -66.93 -48.54 68.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.5 -177.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . 0.811 ' HG2' ' HB2' ' A' ' 412' ' ' LEU . 3.1 mppt? -76.45 -17.19 59.44 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.633 -179.018 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 426' ' ' GLU . . . . . 0.637 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 1.0 OUTLIER -62.49 -57.13 12.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.737 0.78 . . . . 0.0 109.289 173.848 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -66.13 -24.67 66.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.077 177.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 428' ' ' ARG . . . . . 0.525 ' HB3' ' HA ' ' A' ' 425' ' ' LYS . 12.8 tpt180 -74.99 -43.67 52.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.801 -177.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . 0.642 ' HB3' HD13 ' A' ' 412' ' ' LEU . 3.9 pp -61.2 -41.68 97.25 Favored 'General case' 0 CA--C 1.513 -0.456 0 C-N-CA 120.604 -0.438 . . . . 0.0 109.882 179.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 430' ' ' TRP . . . . . 0.401 ' N ' HD11 ' A' ' 429' ' ' LEU . 3.8 t90 -71.12 -28.8 64.57 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.381 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.671 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 39.8 tt0 -65.83 -53.44 40.04 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.409 179.329 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.403 HG22 HD11 ' A' ' 409' ' ' LEU . 13.0 m -70.21 -30.09 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.714 178.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -65.21 -46.07 82.18 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 434' ' ' ARG . . . . . 0.671 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 13.6 ptm180 -65.5 -29.09 69.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.242 -178.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 435' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 431' ' ' GLU . 79.2 mt -70.74 -59.49 3.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 121.22 -0.192 . . . . 0.0 110.687 177.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . 0.434 ' HB2' HG13 ' A' ' 402' ' ' ILE . 4.2 pp -58.38 -32.9 69.02 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.682 0.277 . . . . 0.0 110.874 -179.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 437' ' ' THR . . . . . 0.66 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 86.4 m -73.59 -54.08 9.01 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.461 179.306 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -63.95 -32.54 74.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.77 0.319 . . . . 0.0 110.679 -178.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 439' ' ' LEU . . . . . 0.554 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 42.5 tp -61.65 -56.63 17.7 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.342 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 440' ' ' LYS . . . . . 0.66 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 51.4 pttt -63.23 -27.53 69.42 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.12 0.486 . . . . 0.0 111.143 179.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 441' ' ' ARG . . . . . 0.453 ' HG2' ' O ' ' A' ' 437' ' ' THR . 35.7 mmt180 -69.06 -53.26 21.31 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.973 178.125 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -72.24 -7.06 47.27 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.728 0.299 . . . . 0.0 111.578 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 56.0 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.346 175.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 . . . . . 0 C--O 1.237 0.399 0 CA-C-O 121.529 0.68 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -69.3 -14.89 63.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.978 176.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.04 -57.84 15.43 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.485 177.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.512 HD12 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -64.37 -37.5 80.13 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.573 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.28 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . 0.669 ' O ' ' HG3' ' A' ' 403' ' ' ARG . 33.6 mmtp -57.92 -50.9 71.77 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.309 -178.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . 0.405 ' OE1' ' HD3' ' A' ' 403' ' ' ARG . 5.9 tp10 -66.01 -50.57 63.79 Favored 'General case' 0 C--O 1.244 0.805 0 CA-C-O 121.403 0.62 . . . . 0.0 110.576 178.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 401' ' ' GLU . . . . . 0.455 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 44.0 mt-10 -57.33 -50.69 72.15 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.913 -179.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 402' ' ' ILE . . . . . 0.513 ' HA ' ' HB2' ' A' ' 405' ' ' GLN . 11.5 tt -60.83 -28.99 44.4 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.225 0 N-CA-C 111.355 0.132 . . . . 0.0 111.355 -175.161 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.669 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 56.5 mtp180 -58.89 -52.65 64.83 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 173.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . 0.463 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 29.9 mmm180 -73.79 -38.98 64.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.229 -178.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 405' ' ' GLN . . . . . 0.513 ' HB2' ' HA ' ' A' ' 402' ' ' ILE . 97.7 mt-30 -60.11 -55.76 29.96 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.548 177.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -60.9 -30.37 70.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.949 0.404 . . . . 0.0 110.285 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.448 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 1.9 t80 -63.03 -53.33 55.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.182 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . 0.535 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.0 pp -75.62 -29.86 59.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 409' ' ' LEU . . . . . 0.502 ' N ' HD13 ' A' ' 408' ' ' LEU . 6.6 tt -61.17 -46.65 89.65 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 176.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -57.72 -40.65 80.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.586 176.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 411' ' ' SER . . . . . 0.591 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 30.1 m -65.66 -55.12 19.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.361 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.608 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 3.8 pp -69.44 -19.8 63.78 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 120.294 -0.563 . . . . 0.0 110.752 -179.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -72.72 -39.12 67.19 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.409 173.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 414' ' ' ARG . . . . . 0.591 ' HG2' ' O ' ' A' ' 411' ' ' SER . 20.2 ptt180 -76.31 -8.77 57.81 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.567 -179.197 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -63.28 -25.37 68.28 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 167.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 31.0 mt . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.802 -175.611 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 13.3 t70 . . . . . 0 CA--C 1.522 -0.119 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . 0.408 HD13 ' N ' ' A' ' 423' ' ' LEU . 5.7 mp -102.31 -16.07 16.39 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.235 0.54 . . . . 0.0 109.741 -178.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 20.0 t -68.01 -51.81 42.76 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.676 -175.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . 0.608 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 0.0 OUTLIER -74.88 -18.17 60.46 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.438 -177.522 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 426' ' ' GLU . . . . . 0.697 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 34.9 tt0 -72.44 -53.58 11.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.09 0.471 . . . . 0.0 110.242 178.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -65.31 -25.48 67.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.156 0.503 . . . . 0.0 110.396 176.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 8.9 ttm180 -78.79 -39.66 35.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.1 -177.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . 0.697 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.3 pp -61.18 -34.85 75.73 Favored 'General case' 0 CA--C 1.514 -0.44 0 C-N-CA 120.358 -0.537 . . . . 0.0 109.68 175.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.1 t90 -71.16 -32.71 69.26 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 120.604 -0.439 . . . . 0.0 110.719 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.616 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 42.6 tt0 -61.34 -55.04 36.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.375 178.079 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.426 HG11 HD13 ' A' ' 409' ' ' LEU . 7.5 p -68.64 -30.79 48.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.584 179.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -64.69 -48.43 74.73 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 120.983 0.421 . . . . 0.0 110.256 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 434' ' ' ARG . . . . . 0.616 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 3.9 ptm180 -64.64 -30.05 71.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.11 -177.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 435' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 431' ' ' GLU . 86.2 mt -68.29 -59.07 4.08 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.216 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.652 176.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . 0.435 ' O ' ' HG2' ' A' ' 440' ' ' LYS . 4.5 pp -60.13 -30.04 69.03 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.895 0.379 . . . . 0.0 111.053 -178.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 437' ' ' THR . . . . . 0.454 ' HA ' ' HZ3' ' A' ' 440' ' ' LYS . 90.5 m -67.43 -59.6 3.25 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.651 176.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -64.16 -29.69 70.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.911 0.386 . . . . 0.0 111.029 -178.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 439' ' ' LEU . . . . . 0.416 ' HG ' ' HB ' ' A' ' 398' ' ' ILE . 21.5 tp -64.14 -61.41 2.27 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 -177.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 440' ' ' LYS . . . . . 0.512 ' HB3' HD12 ' A' ' 398' ' ' ILE . 24.1 pttm -63.95 -30.35 71.44 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.425 -176.231 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 441' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' A' ' 437' ' ' THR . 30.7 mmm180 -70.13 -58.04 4.25 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.43 178.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -67.58 -15.1 63.48 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -177.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 439' ' ' LEU . 3.8 mm? . . . . . 0 C--N 1.327 -0.399 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 . . . . . 0 C--O 1.241 0.645 0 CA-C-O 122.059 0.933 . . . . 0.0 108.601 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . 0.644 ' HA ' ' HB2' ' A' ' 399' ' ' LYS . . . -63.65 -8.12 9.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.877 173.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.4 -63.51 4.8 Favored Glycine 0 N--CA 1.443 -0.893 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.559 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -71.46 -28.04 30.54 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.594 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.245 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . 0.644 ' HB2' ' HA ' ' A' ' 396' ' ' ALA . 2.7 mptp? -60.63 -52.3 65.73 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.275 178.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -64.81 -50.14 67.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.186 0.517 . . . . 0.0 110.021 176.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 401' ' ' GLU . . . . . 0.463 ' HB3' HE21 ' A' ' 405' ' ' GLN . 41.8 mt-10 -61.8 -38.19 87.19 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.886 -175.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 402' ' ' ILE . . . . . 0.428 HD13 HD12 ' A' ' 398' ' ' ILE . 12.6 tt -68.63 -35.43 70.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 118.217 0.462 . . . . 0.0 110.498 -177.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.6 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 70.8 mtp180 -63.36 -44.93 93.4 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.006 -0.677 . . . . 0.0 109.796 174.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . 0.458 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 75.7 mtp180 -66.3 -50.45 63.62 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.113 178.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 405' ' ' GLN . . . . . 0.463 HE21 ' HB3' ' A' ' 401' ' ' GLU . 47.3 mt-30 -67.39 -49.8 62.37 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 116.002 -0.544 . . . . 0.0 112.279 -176.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -63.41 -27.2 69.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 118.255 0.479 . . . . 0.0 110.418 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.6 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.9 t80 -65.12 -55.15 20.35 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.901 176.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . 0.496 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.6 pp -72.28 -27.02 62.21 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.8 179.255 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 409' ' ' LEU . . . . . 0.481 ' N ' HD11 ' A' ' 408' ' ' LEU . 14.7 tp -63.81 -47.82 79.34 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 176.199 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -55.54 -41.53 73.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.372 173.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 411' ' ' SER . . . . . 0.63 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 24.5 m -63.38 -59.57 4.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.182 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.582 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 4.0 pp -66.53 -19.38 65.77 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.789 -177.122 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -68.02 -37.83 81.86 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.801 0.334 . . . . 0.0 110.605 172.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 414' ' ' ARG . . . . . 0.63 ' HG2' ' O ' ' A' ' 411' ' ' SER . 5.3 ptp180 -78.17 -13.67 59.77 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 177.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -79.43 -8.21 58.95 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.527 173.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 95.9 mt . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.613 178.642 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . 0.597 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 11.6 t70 . . . . . 0 C--O 1.231 0.117 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 74.5 mt -109.67 -29.67 8.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.129 0.49 . . . . 0.0 110.636 -178.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 50.4 m -68.58 -44.61 74.03 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.136 -175.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . 0.597 ' HD3' ' OD1' ' A' ' 422' ' ' ASP . 9.6 mptt -60.99 -34.91 75.52 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.062 0.458 . . . . 0.0 110.811 -179.512 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 426' ' ' GLU . . . . . 0.527 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 11.6 tp10 -64.45 -58.46 6.37 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.233 -177.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -65.63 -24.7 67.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.95 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -73.08 -44.04 61.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.271 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 3.0 pp -66.09 -37.05 84.82 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.588 -175.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -73.58 -33.49 64.66 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.18 0.514 . . . . 0.0 110.008 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.491 ' O ' HG13 ' A' ' 435' ' ' ILE . 41.8 tt0 -61.22 -52.48 64.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.631 174.09 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.41 ' CG1' ' HB3' ' A' ' 405' ' ' GLN . 71.0 t -56.79 -50.31 75.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.315 177.19 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -59.21 -43.59 92.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.845 -176.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 434' ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 13.0 ptt180 -71.37 -25.06 62.21 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.156 -175.267 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 435' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 431' ' ' GLU . 76.9 mt -74.91 -53.96 15.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-O 120.536 0.208 . . . . 0.0 111.094 178.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . . . . . . . . . 4.3 pp -61.86 -34.25 75.65 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.603 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 85.9 m -72.34 -44.93 61.93 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.031 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.23 -44.54 95.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.975 0.417 . . . . 0.0 110.719 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 439' ' ' LEU . . . . . 0.479 HD23 ' HB ' ' A' ' 398' ' ' ILE . 42.5 tp -61.99 -57.89 9.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.607 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 440' ' ' LYS . . . . . 0.559 ' HB3' HG13 ' A' ' 398' ' ' ILE . 20.6 ptmt -59.22 -38.4 79.86 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.928 0.394 . . . . 0.0 111.56 -174.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 -72.63 -42.01 64.9 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.588 -176.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -85.28 -6.34 59.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.574 0.226 . . . . 0.0 111.491 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 57.1 tp . . . . . 0 C--N 1.325 -0.483 0 CA-C-O 120.627 0.251 . . . . 0.0 110.792 178.101 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 . . . . . 0 C--O 1.235 0.335 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -67.87 -11.62 59.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.405 174.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.95 -58.76 11.39 Favored Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.381 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.509 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -69.41 -31.04 47.84 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.501 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 177.68 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . 0.888 ' HA ' ' HE3' ' A' ' 399' ' ' LYS . 0.3 OUTLIER -54.37 -62.98 1.3 Allowed 'General case' 0 C--O 1.236 0.366 0 CA-C-O 120.896 0.379 . . . . 0.0 111.815 -179.531 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . 0.503 ' OE1' ' HD2' ' A' ' 403' ' ' ARG . 6.2 tp10 -67.96 -43.28 79.39 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.156 0.503 . . . . 0.0 110.317 -175.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 401' ' ' GLU . . . . . 0.493 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 51.9 mm-40 -61.66 -43.76 98.24 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.148 -179.455 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 402' ' ' ILE . . . . . 0.54 HG23 ' O ' ' A' ' 399' ' ' LYS . 11.5 tt -63.42 -31.29 52.32 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.219 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.689 -176.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.511 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 84.8 mtt180 -58.67 -49.47 77.44 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.182 0.515 . . . . 0.0 109.833 173.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 30.3 mmm180 -71.45 -40.8 70.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.982 -178.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 405' ' ' GLN . . . . . 0.644 ' NE2' ' HB3' ' A' ' 436' ' ' LEU . 26.8 mt-30 -67.5 -49.32 64.01 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.508 -178.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -62.69 -30.11 71.15 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.098 0.475 . . . . 0.0 109.801 176.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.511 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.3 t80 -60.84 -54.09 49.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.72 177.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . 0.524 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.5 pp -73.32 -29.36 62.63 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.182 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 409' ' ' LEU . . . . . 0.467 ' N ' HD13 ' A' ' 408' ' ' LEU . 7.1 tt -62.91 -46.75 86.34 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.114 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -60.25 -41.19 92.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.34 0.591 . . . . 0.0 109.955 177.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 30.6 t -64.77 -56.37 14.0 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.22 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 4.3 pp -67.72 -19.26 65.13 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.549 -0.46 . . . . 0.0 111.047 -179.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . 0.455 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 17.2 t-160 -66.69 -42.28 86.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.048 175.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -79.77 -12.47 59.78 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.001 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -66.72 -18.07 65.18 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.927 0.394 . . . . 0.0 111.383 173.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.441 HD23 ' HB2' ' A' ' 425' ' ' LYS . 68.8 mt . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.684 178.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . 0.474 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 11.2 t70 . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.876 0.369 . . . . 0.0 110.426 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . 0.435 HD13 ' N ' ' A' ' 423' ' ' LEU . 5.3 mp -114.6 -22.65 9.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.081 0.467 . . . . 0.0 110.481 178.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 58.2 p -63.37 -45.69 89.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.702 -174.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . 0.474 ' HD3' ' OD1' ' A' ' 422' ' ' ASP . 13.5 mptt -66.48 -26.22 67.08 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.739 0.304 . . . . 0.0 110.978 -177.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 426' ' ' GLU . . . . . 0.676 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 41.2 tt0 -71.73 -44.16 64.62 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.319 0.581 . . . . 0.0 109.715 -178.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -69.55 -22.99 63.51 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.906 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -77.62 -42.87 33.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.075 179.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . 0.676 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.6 pp -61.32 -32.41 72.28 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 177.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 430' ' ' TRP . . . . . 0.412 ' N ' HD12 ' A' ' 429' ' ' LEU . 1.8 t90 -78.67 -33.94 46.68 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.366 177.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.585 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 32.1 tt0 -59.38 -58.5 8.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.326 176.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.432 HG12 HD13 ' A' ' 409' ' ' LEU . 10.1 p -66.22 -30.44 49.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.813 -178.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . 0.527 ' HB2' ' O ' ' A' ' 429' ' ' LEU . 8.5 tt0 -64.82 -48.19 75.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.103 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 434' ' ' ARG . . . . . 0.585 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 5.2 ptm180 -67.41 -30.8 70.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.483 -176.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 435' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 431' ' ' GLU . 87.2 mt -69.5 -52.48 32.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.852 179.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . 0.644 ' HB3' ' NE2' ' A' ' 405' ' ' GLN . 4.5 pp -63.94 -33.06 74.85 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.797 0.332 . . . . 0.0 110.431 -179.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 437' ' ' THR . . . . . 0.818 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 74.0 m -70.23 -54.02 14.53 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.035 178.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.06 -37.48 79.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.638 0.256 . . . . 0.0 111.093 -176.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 439' ' ' LEU . . . . . 0.459 ' O ' ' HB2' ' A' ' 443' ' ' LEU . 47.2 tp -65.12 -56.69 11.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.892 -179.511 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 440' ' ' LYS . . . . . 0.818 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 62.5 pttt -61.36 -31.78 71.67 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.748 0.308 . . . . 0.0 110.917 -177.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 441' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 437' ' ' THR . 35.7 mmt180 -64.96 -61.78 1.95 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.464 177.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -79.67 7.91 7.56 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -175.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . 0.459 ' HB2' ' O ' ' A' ' 439' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.323 -0.581 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 171.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 . . . . . 0 N--CA 1.455 -0.202 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -71.39 -11.83 61.1 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.929 173.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.55 -57.18 11.82 Favored Glycine 0 N--CA 1.446 -0.694 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.551 177.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.734 HD13 HD11 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -69.0 -32.56 54.96 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.508 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 176.719 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . 0.826 ' HA ' ' HE3' ' A' ' 399' ' ' LYS . 0.1 OUTLIER -57.21 -48.32 79.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.74 0.305 . . . . 0.0 110.321 177.059 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -65.28 -53.03 50.21 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.385 0.612 . . . . 0.0 110.716 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -61.55 -35.7 78.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.248 -178.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 402' ' ' ILE . . . . . 0.734 HD11 HD13 ' A' ' 398' ' ' ILE . 0.5 OUTLIER -67.62 -30.98 50.51 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.527 0 CA-C-N 116.818 -0.174 . . . . 0.0 110.765 179.601 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.578 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 58.1 mtp180 -60.15 -45.2 93.87 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 174.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 -68.52 -47.27 67.38 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.695 178.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 405' ' ' GLN . . . . . 0.563 ' NE2' ' HB3' ' A' ' 436' ' ' LEU . 28.6 mt-30 -70.11 -46.52 64.65 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.357 0.502 . . . . 0.0 112.357 -176.124 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . 0.468 ' HG2' HG12 ' A' ' 402' ' ' ILE . 35.1 mm-40 -63.85 -32.67 74.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 118.077 0.398 . . . . 0.0 110.377 178.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.552 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.0 t80 -60.67 -52.5 64.87 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.04 178.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . 0.611 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.8 pp -75.18 -27.36 59.61 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.968 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 409' ' ' LEU . . . . . 0.504 HD12 HD11 ' A' ' 412' ' ' LEU . 26.3 tp -62.94 -44.19 96.75 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 175.465 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -62.0 -41.13 97.72 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.332 174.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 41.7 m -65.29 -50.88 64.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.337 -178.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.745 HD12 ' HB3' ' A' ' 429' ' ' LEU . 3.7 pp -69.36 -21.83 63.78 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.597 179.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . 0.492 ' N ' HD13 ' A' ' 412' ' ' LEU . 9.5 m170 -73.15 -39.23 65.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.78 0.324 . . . . 0.0 110.707 174.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -81.96 -2.22 50.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.476 0.655 . . . . 0.0 109.736 175.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -89.35 -29.99 18.72 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.256 -0.883 . . . . 0.0 109.381 173.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.404 HD21 ' HB2' ' A' ' 425' ' ' LYS . 37.5 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.366 178.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 9.8 t70 . . . . . 0 C--O 1.233 0.224 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -104.85 -26.82 12.07 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.994 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 27.5 p -62.98 -39.47 94.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.122 -177.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . 0.404 ' HB2' HD21 ' A' ' 416' ' ' LEU . 0.2 OUTLIER -65.79 -24.9 67.03 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.842 0.353 . . . . 0.0 110.972 179.554 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 426' ' ' GLU . . . . . 0.745 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 39.7 tt0 -79.8 -48.94 12.74 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.353 0.597 . . . . 0.0 109.977 -177.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -67.57 -27.81 67.25 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.196 0.522 . . . . 0.0 110.004 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 428' ' ' ARG . . . . . 0.419 ' O ' ' HB3' ' A' ' 431' ' ' GLU . 49.1 mtp180 -80.77 -30.68 36.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.761 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . 0.745 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.4 pp -67.66 -35.48 78.94 Favored 'General case' 0 CA--C 1.51 -0.586 0 C-N-CA 119.779 -0.768 . . . . 0.0 109.501 176.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -74.69 -28.5 60.85 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.878 178.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.566 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 32.4 tt0 -58.78 -62.84 1.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.87 176.039 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 34.3 m -67.56 -28.69 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 C-N-CA 121.056 -0.258 . . . . 0.0 111.212 -178.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -65.78 -44.41 85.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.387 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 434' ' ' ARG . . . . . 0.566 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 13.5 ptm180 -70.13 -32.54 70.6 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.291 179.281 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 435' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 431' ' ' GLU . 80.3 mt -67.56 -53.93 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.955 178.134 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . 0.563 ' HB3' ' NE2' ' A' ' 405' ' ' GLN . 4.5 pp -62.25 -33.14 74.03 Favored 'General case' 0 CA--C 1.523 -0.089 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.891 -178.035 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 437' ' ' THR . . . . . 0.672 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 85.8 m -68.25 -54.78 15.3 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.743 177.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.88 -40.54 93.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.133 -177.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 439' ' ' LEU . . . . . 0.425 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 34.7 tp -61.8 -56.29 21.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.437 -176.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 440' ' ' LYS . . . . . 0.672 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 51.8 pttt -62.01 -32.2 72.65 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.944 0.402 . . . . 0.0 111.346 -176.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 441' ' ' ARG . . . . . 0.407 ' HE ' ' HA ' ' A' ' 441' ' ' ARG . 1.5 mmp_? -77.73 -40.75 40.05 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -178.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -75.49 -15.3 60.42 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -178.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 87.4 mt . . . . . 0 C--N 1.324 -0.503 0 CA-C-O 120.893 0.378 . . . . 0.0 110.889 176.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . 0.445 ' O ' ' HD3' ' A' ' 399' ' ' LYS . 18.1 mm-40 . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.833 0.349 . . . . 0.0 110.202 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -65.62 -14.51 61.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.828 177.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.03 -63.61 4.26 Favored Glycine 0 N--CA 1.441 -0.985 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.515 HD13 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -72.67 -33.27 44.0 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.806 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 178.686 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . 0.455 ' O ' HG22 ' A' ' 402' ' ' ILE . 3.0 mptp? -57.75 -54.46 46.64 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -178.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -70.65 -44.95 66.07 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.813 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 401' ' ' GLU . . . . . 0.568 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 33.7 mt-10 -63.7 -40.7 97.44 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 111.671 0.249 . . . . 0.0 111.671 -179.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 402' ' ' ILE . . . . . 0.515 HD12 HD13 ' A' ' 398' ' ' ILE . 10.5 tt -64.9 -33.25 62.3 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.531 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 -178.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.613 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 96.4 mtt180 -61.89 -39.47 92.08 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 120.716 -0.393 . . . . 0.0 109.99 174.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . 0.463 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 13.4 mmt180 -72.25 -43.59 64.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.799 176.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 405' ' ' GLN . . . . . 0.568 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 46.3 mt-30 -66.67 -48.84 68.08 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.486 -177.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . 0.427 ' HG2' HG12 ' A' ' 402' ' ' ILE . 7.2 mm-40 -63.05 -30.72 71.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.972 0.415 . . . . 0.0 110.105 176.356 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.613 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 5.4 t80 -61.81 -55.73 26.9 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.983 178.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . 0.612 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.0 pp -73.89 -25.91 60.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.395 179.327 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 409' ' ' LEU . . . . . 0.585 HD13 HD11 ' A' ' 412' ' ' LEU . 23.7 tp -64.95 -43.98 90.95 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 175.333 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -60.45 -41.99 95.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.767 174.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 35.5 t -62.68 -52.46 63.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.249 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.664 HD12 ' HB3' ' A' ' 429' ' ' LEU . 3.4 pp -71.37 -21.55 62.01 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.376 -0.529 . . . . 0.0 111.266 -178.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . 0.503 ' N ' HD13 ' A' ' 412' ' ' LEU . 5.4 m170 -73.89 -40.28 63.3 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.346 174.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 13.8 ptp180 -76.23 -7.98 56.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.347 0.594 . . . . 0.0 109.571 175.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -84.87 -21.56 29.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.735 174.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' A' ' 412' ' ' LEU . 88.1 mt . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.403 -176.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . 0.457 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 9.9 t0 . . . . . 0 N--CA 1.451 -0.408 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -88.35 -19.12 27.08 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.082 -177.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 19.1 m -67.98 -43.75 78.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.035 0.445 . . . . 0.0 110.007 -178.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . 0.457 ' HD3' ' OD1' ' A' ' 422' ' ' ASP . 0.2 OUTLIER -61.58 -26.91 68.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.522 179.371 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 426' ' ' GLU . . . . . 0.697 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 34.8 tt0 -77.11 -53.52 7.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.188 0.518 . . . . 0.0 110.497 -175.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -63.25 -34.05 76.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.212 0.529 . . . . 0.0 110.235 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 428' ' ' ARG . . . . . 0.452 ' O ' HG22 ' A' ' 432' ' ' VAL . 11.0 mmt180 -70.24 -39.62 74.92 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.032 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . 0.697 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 3.2 pp -62.23 -38.28 88.63 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 120.124 -0.63 . . . . 0.0 110.072 -178.025 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.4 t90 -70.81 -35.9 72.72 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.858 -177.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.589 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 20.4 tp10 -67.99 -41.66 81.95 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 177.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.452 HG22 ' O ' ' A' ' 428' ' ' ARG . 72.3 t -61.9 -48.86 86.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.716 175.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -61.68 -45.36 94.35 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.333 -177.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 434' ' ' ARG . . . . . 0.589 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 9.2 ptm180 -65.96 -28.72 69.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.621 -176.089 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 435' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 431' ' ' GLU . 70.5 mt -74.79 -57.77 5.9 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.254 0 CA-C-N 116.874 -0.148 . . . . 0.0 111.159 178.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . 0.459 HD11 ' N ' ' A' ' 437' ' ' THR . 4.1 pp -57.96 -37.67 74.6 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.737 0.303 . . . . 0.0 110.918 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 437' ' ' THR . . . . . 0.488 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 88.6 m -68.09 -59.49 3.2 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.738 178.141 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.34 -38.15 82.89 Favored 'General case' 0 CA--C 1.52 -0.209 0 C-N-CA 121.235 -0.186 . . . . 0.0 111.027 -175.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 46.5 tp -58.78 -58.5 8.35 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.868 -177.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 440' ' ' LYS . . . . . 0.488 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 58.5 pttt -61.63 -28.31 69.28 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.901 0.381 . . . . 0.0 111.069 -177.129 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -72.47 -53.03 13.29 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.869 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 7.7 ptmm? -76.96 -12.05 59.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.986 0.422 . . . . 0.0 111.234 -177.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 44.8 tp . . . . . 0 C--N 1.323 -0.584 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.018 179.699 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 . . . . . 0 C--O 1.24 0.567 0 CA-C-O 121.406 0.622 . . . . 0.0 109.673 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . 0.445 ' HA ' ' HB2' ' A' ' 399' ' ' LYS . . . -70.04 -9.55 55.72 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.319 175.333 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.93 -56.4 21.11 Favored Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 111.124 -0.791 . . . . 0.0 111.124 176.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.572 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -67.52 -32.63 57.91 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.565 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 177.46 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . 0.445 ' HB2' ' HA ' ' A' ' 396' ' ' ALA . 32.4 mmtp -59.27 -46.19 89.2 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.482 177.53 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -72.94 -41.87 64.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.048 0.452 . . . . 0.0 110.217 178.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 401' ' ' GLU . . . . . 0.543 ' HB3' HE21 ' A' ' 405' ' ' GLN . 30.2 mm-40 -60.02 -48.83 80.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.452 177.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 402' ' ' ILE . . . . . . . . . . . . . 13.2 tt -66.53 -34.89 73.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.705 -0.225 . . . . 0.0 110.836 -174.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.592 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 95.8 mtt180 -59.02 -49.72 76.84 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 174.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . 0.599 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 41.9 mtm-85 -69.47 -49.27 56.44 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.199 -178.366 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 405' ' ' GLN . . . . . 0.56 ' O ' ' HB2' ' A' ' 409' ' ' LEU . 47.9 mt-30 -70.85 -33.39 70.59 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -172.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -82.01 -22.57 36.43 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 119.713 -0.795 . . . . 0.0 110.603 177.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.592 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.8 t80 -67.54 -51.79 46.56 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 176.283 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 404' ' ' ARG . 2.0 pp -71.95 -30.51 65.38 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.738 177.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 409' ' ' LEU . . . . . 0.56 ' HB2' ' O ' ' A' ' 405' ' ' GLN . 7.3 tt -58.53 -52.47 65.51 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 175.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -53.71 -43.83 69.34 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.856 177.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 411' ' ' SER . . . . . 0.635 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 20.9 m -64.73 -60.22 3.34 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.852 -179.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.712 HD11 ' HB3' ' A' ' 429' ' ' LEU . 4.4 pp -63.88 -24.2 67.65 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.057 0.456 . . . . 0.0 111.144 -177.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . 0.462 ' N ' HD13 ' A' ' 412' ' ' LEU . 12.6 t-80 -65.22 -41.35 94.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.773 176.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 414' ' ' ARG . . . . . 0.635 ' HG2' ' O ' ' A' ' 411' ' ' SER . 21.5 ptt180 -74.47 -21.07 59.76 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.158 -177.343 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -69.08 -15.41 63.44 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.317 173.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.606 HD22 ' HB2' ' A' ' 425' ' ' LYS . 93.3 mt . . . . . 0 C--N 1.329 -0.297 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -177.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 24.7 t70 . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.66 0.267 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 86.2 mt -117.57 1.13 12.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.19 175.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 1.9 m -69.65 -52.3 27.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.398 0.618 . . . . 0.0 109.888 -178.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . 0.606 ' HB2' HD22 ' A' ' 416' ' ' LEU . 12.8 mptt -66.61 -22.69 66.12 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.791 178.417 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 426' ' ' GLU . . . . . 0.638 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 39.4 tt0 -71.23 -46.63 60.67 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.43 -178.12 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -64.46 -28.88 69.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.208 0.528 . . . . 0.0 109.804 176.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -78.26 -39.8 39.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.816 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . 0.712 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.3 pp -62.35 -36.94 83.79 Favored 'General case' 0 CA--C 1.513 -0.473 0 C-N-CA 120.171 -0.612 . . . . 0.0 109.559 175.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 430' ' ' TRP . . . . . 0.465 ' N ' HD13 ' A' ' 429' ' ' LEU . 5.1 t90 -72.48 -29.22 63.46 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.542 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 16.2 tt0 -70.21 -49.26 52.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.343 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.512 ' HB ' ' HB3' ' A' ' 405' ' ' GLN . 14.2 m -67.52 -30.13 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 C-N-CA 120.804 -0.359 . . . . 0.0 110.266 178.092 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -67.83 -49.84 59.99 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.323 178.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 434' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 41.2 ptt180 -63.85 -23.04 67.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.812 -177.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 435' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 431' ' ' GLU . 84.2 mt -79.58 -55.15 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 121.215 -0.194 . . . . 0.0 111.099 175.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . . . . . . . . . 4.4 pp -64.05 -34.15 77.37 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.247 -177.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 437' ' ' THR . . . . . 0.54 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 91.2 m -76.21 -46.25 29.17 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 111.595 0.22 . . . . 0.0 111.595 179.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -64.44 -34.92 79.32 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.754 -177.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 439' ' ' LEU . . . . . 0.401 HD23 ' HB ' ' A' ' 398' ' ' ILE . 31.3 tp -69.16 -52.04 32.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.818 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 440' ' ' LYS . . . . . 0.572 ' HB3' HG13 ' A' ' 398' ' ' ILE . 64.9 pttt -61.03 -35.88 78.06 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 120.822 0.344 . . . . 0.0 110.728 -177.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 39.9 mmt180 -71.39 -53.34 14.41 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.955 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -74.5 -8.0 54.87 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -177.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 35.3 tp . . . . . 0 C--N 1.329 -0.292 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.275 179.068 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . 0.448 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 3.2 mm-40 . . . . . 0 CA--C 1.52 -0.191 0 CA-C-O 121.264 0.554 . . . . 0.0 109.521 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -65.43 -12.87 56.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.71 175.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.95 -62.3 5.84 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 111.236 -0.745 . . . . 0.0 111.236 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.536 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -69.13 -34.67 64.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.67 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.37 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . 0.601 ' O ' ' HG3' ' A' ' 403' ' ' ARG . 33.6 mmtp -58.0 -54.41 47.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.579 0.228 . . . . 0.0 111.236 -177.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -69.56 -42.28 74.78 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 120.809 0.338 . . . . 0.0 111.087 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 401' ' ' GLU . . . . . 0.508 ' HB3' HE21 ' A' ' 405' ' ' GLN . 33.8 mt-10 -62.52 -46.05 90.21 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.785 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 402' ' ' ILE . . . . . 0.423 HG21 ' O ' ' A' ' 399' ' ' LYS . 12.1 tt -64.17 -29.77 48.24 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.301 0 C-N-CA 121.346 -0.142 . . . . 0.0 110.838 -176.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.601 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 76.3 mtp180 -59.02 -48.25 82.28 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 174.231 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . 0.548 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 75.8 mtp180 -76.95 -38.45 53.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.913 -179.262 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 405' ' ' GLN . . . . . 0.508 HE21 ' HB3' ' A' ' 401' ' ' GLU . 73.3 mt-30 -64.86 -49.61 69.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.829 -0.169 . . . . 0.0 111.069 179.201 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -65.4 -28.75 69.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.874 0.369 . . . . 0.0 110.313 177.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.565 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.7 t80 -61.41 -58.62 7.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.527 176.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 404' ' ' ARG . 2.7 pp -72.06 -30.73 65.44 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.244 -178.086 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 409' ' ' LEU . . . . . 0.62 HD11 HG23 ' A' ' 432' ' ' VAL . 6.6 tt -60.22 -47.44 85.96 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 176.085 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 410' ' ' ASN . . . . . 0.421 ' O ' ' HG3' ' A' ' 414' ' ' ARG . 6.6 t30 -57.91 -46.82 84.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.244 177.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 18.6 m -60.82 -56.84 16.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.43 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.681 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 4.7 pp -66.24 -23.49 66.42 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.092 0.472 . . . . 0.0 110.656 -178.483 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . 0.45 ' HD2' HD13 ' A' ' 416' ' ' LEU . 15.8 t-160 -65.62 -32.35 73.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.738 174.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 414' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' A' ' 410' ' ' ASN . 43.7 mtp180 -83.77 -17.58 40.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 178.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 415' ' ' ASP . . . . . 0.449 ' OD2' ' HA ' ' A' ' 412' ' ' LEU . 39.8 m-20 -73.96 -3.56 29.88 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.047 174.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.45 HD13 ' HD2' ' A' ' 413' ' ' HIS . 94.0 mt . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.59 -178.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . 0.585 ' CG ' ' HD3' ' A' ' 425' ' ' LYS . 9.9 t0 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 36.4 mt -92.22 -19.86 21.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.097 0.475 . . . . 0.0 110.584 -176.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 37.4 t -72.4 -39.28 68.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.116 -177.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . 0.681 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 11.9 mptt -62.35 -33.13 74.12 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.836 177.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 426' ' ' GLU . . . . . 0.523 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 47.5 mt-10 -65.95 -48.78 70.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.178 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -67.3 -25.42 66.02 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.3 176.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -77.25 -44.9 28.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.63 -175.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . 0.668 ' HB3' HD12 ' A' ' 412' ' ' LEU . 4.0 pp -62.69 -38.59 90.97 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -75.84 -29.59 58.65 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.31 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.594 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 43.2 tt0 -63.08 -56.87 13.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.161 177.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.62 HG23 HD11 ' A' ' 409' ' ' LEU . 20.8 m -68.2 -31.18 50.56 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.831 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -61.84 -46.22 90.39 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 120.888 0.375 . . . . 0.0 110.027 178.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 434' ' ' ARG . . . . . 0.594 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 17.4 ptt180 -68.66 -25.97 65.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.407 -178.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 435' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 431' ' ' GLU . 85.0 mt -74.28 -58.3 5.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.469 176.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . 0.482 HD11 ' N ' ' A' ' 437' ' ' THR . 4.3 pp -60.37 -34.95 74.61 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 121.216 -0.193 . . . . 0.0 111.174 -178.303 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 437' ' ' THR . . . . . 0.779 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 90.8 m -69.26 -49.22 58.12 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.668 -0.242 . . . . 0.0 110.84 178.236 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . 0.585 ' O ' ' HG2' ' A' ' 442' ' ' LYS . . . -63.4 -43.4 97.65 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.391 179.56 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 23.3 tp -60.63 -51.84 67.67 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.429 -176.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 440' ' ' LYS . . . . . 0.779 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 62.6 pttt -62.02 -32.06 72.51 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.224 0.535 . . . . 0.0 110.726 -178.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 441' ' ' ARG . . . . . 0.593 ' HG3' ' O ' ' A' ' 437' ' ' THR . 36.4 mtm180 -74.57 -46.28 39.83 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.35 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 442' ' ' LYS . . . . . 0.585 ' HG2' ' O ' ' A' ' 438' ' ' ALA . 30.9 mmmt -69.23 -22.83 63.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 111.432 -178.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 89.2 mt . . . . . 0 C--N 1.325 -0.471 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -177.608 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -69.45 -19.89 63.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.252 175.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.32 -60.39 6.77 Favored Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.628 178.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.494 HD11 HD11 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -66.13 -33.89 66.58 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.856 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.413 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . 0.553 ' O ' ' HG3' ' A' ' 403' ' ' ARG . 3.5 mptp? -59.99 -44.44 94.5 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -178.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -71.25 -49.18 45.84 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.071 0.463 . . . . 0.0 110.431 177.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -62.84 -39.1 93.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.301 -177.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 402' ' ' ILE . . . . . 0.494 HD11 HD11 ' A' ' 398' ' ' ILE . 12.3 tt -70.69 -29.91 40.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 -179.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.563 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 97.8 mtt180 -56.1 -50.22 71.67 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 173.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . 0.5 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 38.3 mtp180 -74.37 -40.89 61.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.225 -178.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 405' ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' ' 409' ' ' LEU . 44.7 mt-30 -61.87 -45.83 92.08 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.298 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . 0.425 ' HG3' HG12 ' A' ' 402' ' ' ILE . 43.9 mt-10 -75.31 -20.1 59.27 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.65 178.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.563 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.8 t80 -71.67 -49.89 35.59 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 176.195 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . 0.658 HD12 HG12 ' A' ' 432' ' ' VAL . 3.5 pp -71.84 -29.92 64.92 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 120.774 -0.371 . . . . 0.0 110.199 176.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 409' ' ' LEU . . . . . 0.465 ' N ' HD11 ' A' ' 408' ' ' LEU . 27.6 tp -59.76 -44.34 93.89 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 174.151 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -59.14 -54.24 49.19 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.804 176.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 411' ' ' SER . . . . . 0.504 ' HG ' ' HA ' ' A' ' 408' ' ' LEU . 12.1 p -64.81 -48.72 73.39 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.811 -175.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.947 HD11 ' HB3' ' A' ' 429' ' ' LEU . 3.9 pp -64.66 -27.8 69.18 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 121.066 -0.254 . . . . 0.0 111.285 -178.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 3.6 m170 -66.52 -35.97 81.55 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.011 0.434 . . . . 0.0 110.431 174.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -75.21 -19.99 59.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.842 178.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 415' ' ' ASP . . . . . 0.458 ' HB2' ' HD3' ' A' ' 425' ' ' LYS . 64.3 m-20 -82.46 -0.86 48.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.555 176.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 412' ' ' LEU . 39.5 mt . . . . . 0 C--N 1.322 -0.602 0 CA-C-O 120.977 0.417 . . . . 0.0 110.398 -178.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 15.6 t70 . . . . . 0 N--CA 1.455 -0.22 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 96.8 mt -108.12 -12.02 15.18 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.008 0.433 . . . . 0.0 110.667 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 12.8 t -70.16 -42.27 72.71 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.575 -177.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . 0.563 ' HA ' ' HB2' ' A' ' 428' ' ' ARG . 50.8 mttm -69.53 -24.02 63.67 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.389 179.288 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 426' ' ' GLU . . . . . 0.518 ' HA ' ' CD2' ' A' ' 429' ' ' LEU . 34.4 tt0 -70.36 -41.95 72.46 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 177.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -66.4 -31.8 72.78 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.972 172.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 428' ' ' ARG . . . . . 0.563 ' HB2' ' HA ' ' A' ' 425' ' ' LYS . 30.5 mmt180 -72.48 -43.29 63.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.409 -179.073 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . 0.947 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.5 pp -64.97 -32.5 74.25 Favored 'General case' 0 CA--C 1.513 -0.475 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.284 -178.107 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 430' ' ' TRP . . . . . 0.4 ' N ' HD13 ' A' ' 429' ' ' LEU . 1.9 t90 -78.99 -29.89 44.06 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.249 177.158 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.539 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 40.1 tt0 -63.8 -59.7 4.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.172 178.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.658 HG12 HD12 ' A' ' 408' ' ' LEU . 24.0 m -65.29 -30.27 49.76 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.844 -179.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . 0.476 ' HB2' ' O ' ' A' ' 429' ' ' LEU . 7.9 tt0 -61.48 -51.76 67.33 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-O 121.18 0.514 . . . . 0.0 109.954 177.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 434' ' ' ARG . . . . . 0.539 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 38.5 ptt180 -69.44 -23.05 63.63 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.461 -177.146 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 435' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 431' ' ' GLU . 75.9 mt -79.15 -57.47 5.21 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.304 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.915 178.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . 0.443 HD11 ' N ' ' A' ' 437' ' ' THR . 4.6 pp -57.71 -33.77 68.75 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.745 0.307 . . . . 0.0 110.811 -179.156 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 437' ' ' THR . . . . . 0.443 ' N ' HD11 ' A' ' 436' ' ' LEU . 88.1 m -67.32 -60.12 2.85 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.776 177.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -64.16 -34.5 78.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.758 0.313 . . . . 0.0 111.074 -176.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 439' ' ' LEU . . . . . 0.473 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 21.9 tp -61.12 -56.78 16.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.995 -178.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 440' ' ' LYS . . . . . 0.478 ' HB3' HG13 ' A' ' 398' ' ' ILE . 18.8 pttp -64.54 -27.77 69.19 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.979 0.419 . . . . 0.0 110.88 -177.071 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -71.99 -52.34 17.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.978 179.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -74.96 -8.43 56.47 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 -178.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 78.7 mt . . . . . 0 C--N 1.325 -0.489 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.796 179.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 . . . . . 0 C--O 1.234 0.279 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . 0.597 ' HA ' ' HB2' ' A' ' 399' ' ' LYS . . . -72.26 -4.68 31.02 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.91 176.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.93 -62.69 5.0 Favored Glycine 0 N--CA 1.443 -0.897 0 N-CA-C 110.794 -0.923 . . . . 0.0 110.794 177.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.589 HD13 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -68.02 -32.85 57.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 175.461 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . 0.826 ' HE2' ' HA ' ' A' ' 399' ' ' LYS . 0.0 OUTLIER -54.18 -45.71 72.18 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.446 -179.225 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -75.03 -46.7 33.16 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.077 0.465 . . . . 0.0 111.096 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -64.69 -33.04 75.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.087 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 402' ' ' ILE . . . . . 0.589 HD12 HD13 ' A' ' 398' ' ' ILE . 12.3 tt -73.22 -27.97 25.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 178.527 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.606 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 97.3 mtt180 -53.75 -52.46 60.11 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 170.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . 0.477 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 38.2 mmt180 -67.25 -49.11 65.65 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.762 -1.108 . . . . 0.0 111.047 -179.086 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 405' ' ' GLN . . . . . 0.48 ' O ' ' HB2' ' A' ' 409' ' ' LEU . 22.1 mt-30 -63.34 -37.68 88.19 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -175.125 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . 0.489 ' HA ' ' HB3' ' A' ' 409' ' ' LEU . 43.2 mt-10 -81.77 -23.42 36.63 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.673 177.667 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.541 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 4.3 t80 -63.38 -54.08 42.35 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 176.214 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . 0.599 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.1 pp -72.51 -25.65 61.48 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.862 177.208 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 409' ' ' LEU . . . . . 0.489 ' HB3' ' HA ' ' A' ' 406' ' ' GLU . 35.2 tp -61.4 -45.44 94.35 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 175.117 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -61.8 -43.47 98.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.089 174.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 411' ' ' SER . . . . . 0.407 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 30.7 m -63.37 -47.99 79.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.832 -177.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.876 ' HB2' ' HB3' ' A' ' 425' ' ' LYS . 3.8 pp -72.46 -23.66 61.09 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.539 -179.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . 0.494 ' N ' HD13 ' A' ' 412' ' ' LEU . 9.1 m170 -71.91 -44.7 63.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.943 0.401 . . . . 0.0 111.039 175.475 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 414' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 411' ' ' SER . 25.5 ptt180 -72.31 -16.29 61.9 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.875 177.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -80.53 -26.05 38.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.703 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.769 HD23 ' HB2' ' A' ' 425' ' ' LYS . 38.2 mt . . . . . 0 C--N 1.327 -0.398 0 CA-C-O 121.286 0.565 . . . . 0.0 110.53 176.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . 0.63 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 8.9 t70 . . . . . 0 N--CA 1.451 -0.394 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 85.6 mt -97.02 -11.39 24.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.01 0.433 . . . . 0.0 111.01 -176.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 424' ' ' SER . . . . . 0.435 ' O ' ' HB2' ' A' ' 428' ' ' ARG . 36.5 t -73.24 -38.66 65.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.092 -0.503 . . . . 0.0 109.845 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . 0.876 ' HB3' ' HB2' ' A' ' 412' ' ' LEU . 12.7 mmtp -69.5 -28.5 66.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.511 178.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 426' ' ' GLU . . . . . 0.683 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 32.7 tt0 -69.01 -51.56 37.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.137 -177.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -67.44 -26.06 66.21 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.093 178.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 428' ' ' ARG . . . . . 0.435 ' HB2' ' O ' ' A' ' 424' ' ' SER . 10.4 ttm180 -77.23 -39.23 49.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.785 -177.381 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . 0.693 ' HB3' ' CD1' ' A' ' 412' ' ' LEU . 4.5 pp -65.07 -37.71 88.42 Favored 'General case' 0 CA--C 1.511 -0.549 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.102 179.281 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 430' ' ' TRP . . . . . 0.423 ' N ' HD13 ' A' ' 429' ' ' LEU . 1.8 t90 -74.45 -29.34 61.44 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.034 178.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.615 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 41.0 tt0 -61.29 -56.65 18.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.038 177.204 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.588 HG13 HD11 ' A' ' 408' ' ' LEU . 24.0 m -71.17 -32.45 47.64 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.227 -179.418 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -62.12 -48.11 81.59 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 120.852 0.358 . . . . 0.0 110.039 179.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 434' ' ' ARG . . . . . 0.615 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 13.7 ptm180 -64.3 -34.03 77.2 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.248 -177.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 435' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 431' ' ' GLU . 78.9 mt -72.09 -53.49 19.74 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.978 179.206 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . 0.403 HD12 ' N ' ' A' ' 437' ' ' THR . 4.6 pp -59.93 -34.44 73.22 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.724 -178.059 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 437' ' ' THR . . . . . 0.403 ' N ' HD12 ' A' ' 436' ' ' LEU . 63.0 m -71.09 -58.63 3.38 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.57 179.251 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -58.22 -41.7 84.65 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 120.844 0.354 . . . . 0.0 110.913 -175.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 439' ' ' LEU . . . . . 0.437 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 37.5 tp -63.08 -55.98 20.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.099 -177.362 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 440' ' ' LYS . . . . . 0.51 ' HB3' HG13 ' A' ' 398' ' ' ILE . 18.4 pttp -66.16 -28.96 69.18 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.81 0.338 . . . . 0.0 111.33 -174.544 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -75.32 -43.28 51.67 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.617 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -17.36 61.7 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 121.152 -0.219 . . . . 0.0 111.539 179.413 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 78.9 mt . . . . . 0 C--N 1.327 -0.405 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.534 177.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . 0.429 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 15.0 mm100 . . . . . 0 N--CA 1.456 -0.164 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -65.13 -19.02 65.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.849 173.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 397' ' ' GLY . . . . . 0.429 ' O ' ' HG2' ' A' ' 401' ' ' GLU . . . -62.96 -58.18 12.96 Favored Glycine 0 N--CA 1.444 -0.826 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.49 177.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.413 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -66.7 -29.63 47.06 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.59 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -178.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . 0.548 ' O ' HG23 ' A' ' 402' ' ' ILE . 20.9 mmtp -63.79 -47.93 78.96 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.56 177.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -68.74 -42.59 77.38 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 121.036 0.446 . . . . 0.0 110.476 177.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 401' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 397' ' ' GLY . 7.8 mm-40 -59.1 -52.05 67.4 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.606 177.293 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 402' ' ' ILE . . . . . 0.755 HG13 HD11 ' A' ' 436' ' ' LEU . 10.5 tt -59.16 -30.3 43.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.619 -175.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.596 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 80.0 mtp180 -61.03 -57.28 13.28 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.691 -0.403 . . . . 0.0 110.299 175.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . 0.459 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 23.8 ptt180 -77.84 -22.17 50.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.865 -176.476 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 405' ' ' GLN . . . . . 0.504 ' CB ' HD13 ' A' ' 436' ' ' LEU . 16.1 mm100 -84.41 -44.7 13.46 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.408 0.151 . . . . 0.0 111.408 -179.448 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . 0.412 ' CG ' HG12 ' A' ' 402' ' ' ILE . 25.0 mm-40 -65.0 -25.94 68.07 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 172.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.596 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 0.9 OUTLIER -59.45 -58.43 8.65 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.73 -1.123 . . . . 0.0 109.959 176.687 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . 0.486 ' HA ' ' OG ' ' A' ' 411' ' ' SER . 2.0 pp -75.2 -25.41 58.18 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.319 -178.498 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 409' ' ' LEU . . . . . 0.501 ' O ' ' HB2' ' A' ' 413' ' ' HIS . 6.1 tt -60.18 -46.23 90.4 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 173.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -62.59 -49.0 76.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.014 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 411' ' ' SER . . . . . 0.486 ' OG ' ' HA ' ' A' ' 408' ' ' LEU . 30.0 p -63.74 -45.87 87.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.521 0.2 . . . . 0.0 111.374 -177.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.727 ' HB2' ' HD2' ' A' ' 425' ' ' LYS . 2.6 pp -69.49 -26.98 64.82 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.074 177.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . 0.501 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 8.5 t-160 -71.15 -39.98 71.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.89 0.376 . . . . 0.0 110.535 176.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 414' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 411' ' ' SER . 11.6 ptm180 -77.48 -9.14 58.73 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.918 0.389 . . . . 0.0 110.144 178.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -66.84 -22.11 66.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.876 172.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.881 HD21 ' HB2' ' A' ' 425' ' ' LYS . 31.7 mt . . . . . 0 C--O 1.233 0.187 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.667 176.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . 0.462 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 9.9 t0 . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 7.4 mp -95.25 -16.68 22.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.286 0.565 . . . . 0.0 110.134 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 35.3 m -64.34 -39.68 94.37 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.125 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . 0.881 ' HB2' HD21 ' A' ' 416' ' ' LEU . 36.4 mmtm -61.97 -32.44 72.89 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.124 178.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 426' ' ' GLU . . . . . 0.46 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 41.2 mt-10 -66.03 -43.93 86.16 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.404 0.621 . . . . 0.0 109.653 -179.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -68.89 -32.52 72.22 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.953 176.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 428' ' ' ARG . . . . . 0.46 ' O ' HG11 ' A' ' 432' ' ' VAL . 32.6 mmt180 -74.19 -45.76 46.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.365 -177.397 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . 0.554 ' HB3' HD13 ' A' ' 412' ' ' LEU . 4.2 pp -61.38 -33.58 73.9 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 178.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -76.1 -34.71 59.52 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 120.064 -0.655 . . . . 0.0 110.447 178.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.479 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 37.2 tt0 -59.57 -57.34 13.4 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.535 177.134 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.46 HG11 ' O ' ' A' ' 428' ' ' ARG . 4.1 p -63.15 -35.35 71.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.671 -179.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -65.0 -48.53 73.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.308 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 434' ' ' ARG . . . . . 0.479 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 15.4 ptm180 -67.61 -30.43 70.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.956 -175.269 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 435' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 431' ' ' GLU . 88.4 mt -69.25 -53.48 25.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 177.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . 0.755 HD11 HG13 ' A' ' 402' ' ' ILE . 96.6 mt -57.56 -42.82 83.79 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.344 178.191 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 437' ' ' THR . . . . . 1.04 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 78.6 m -62.85 -57.97 9.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.909 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -58.74 -43.97 90.36 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 120.595 0.236 . . . . 0.0 111.152 -176.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 439' ' ' LEU . . . . . 0.592 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 53.9 tp -56.4 -61.38 2.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.381 -176.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 440' ' ' LYS . . . . . 1.04 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 46.9 pttt -58.68 -31.62 68.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.026 0.441 . . . . 0.0 111.322 -176.098 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 441' ' ' ARG . . . . . 0.545 ' HG2' ' O ' ' A' ' 437' ' ' THR . 24.2 mmt180 -70.44 -54.1 13.73 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.789 -179.6 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 442' ' ' LYS . . . . . 0.448 ' HE3' ' HA ' ' A' ' 439' ' ' LEU . 11.7 pttp -77.69 4.25 11.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.908 0.385 . . . . 0.0 111.301 -177.624 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 65.3 mt . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.627 170.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . 0.429 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 20.0 tp60 . . . . . 0 C--O 1.236 0.352 0 CA-C-O 121.244 0.545 . . . . 0.0 109.55 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . 0.429 ' HA ' ' HB2' ' A' ' 399' ' ' LYS . . . -67.76 -11.56 58.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.824 175.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.76 -59.53 9.57 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 177.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.548 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -68.45 -29.53 44.42 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.882 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 395' ' ' GLN . 33.6 mmtp -58.31 -48.67 79.76 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.352 -0.539 . . . . 0.0 111.09 178.19 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -69.57 -48.11 61.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.084 0.469 . . . . 0.0 110.603 177.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -62.81 -38.9 92.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.668 -177.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 402' ' ' ILE . . . . . 0.539 HD13 HD13 ' A' ' 398' ' ' ILE . 10.4 tt -68.35 -36.01 73.23 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.487 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 -179.262 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.668 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 86.9 mtt180 -59.6 -47.53 85.2 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.956 178.177 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -77.25 -25.72 51.81 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.484 -176.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 405' ' ' GLN . . . . . 0.534 ' O ' ' HB2' ' A' ' 409' ' ' LEU . 44.0 mt-30 -85.24 -38.35 19.01 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.159 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -67.74 -22.24 65.24 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 170.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.668 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 25.9 t80 -68.12 -57.08 6.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.197 -0.91 . . . . 0.0 111.17 -178.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . 0.631 HD22 HG11 ' A' ' 432' ' ' VAL . 1.9 pt? -76.65 -23.2 53.28 Favored 'General case' 0 C--O 1.22 -0.484 0 C-N-CA 119.82 -0.752 . . . . 0.0 109.686 -178.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 409' ' ' LEU . . . . . 0.534 ' HB2' ' O ' ' A' ' 405' ' ' GLN . 4.4 tt -63.68 -42.91 97.97 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 173.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 410' ' ' ASN . . . . . 0.458 ' HB3' ' O ' ' A' ' 407' ' ' PHE . 4.2 t-20 -57.29 -48.58 78.56 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.065 172.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 20.1 t -63.09 -48.6 77.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.696 -178.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.961 ' HB2' ' HB3' ' A' ' 425' ' ' LYS . 4.5 pp -68.59 -24.72 64.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.165 -0.334 . . . . 0.0 111.49 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . 0.413 ' N ' HD12 ' A' ' 412' ' ' LEU . 0.3 OUTLIER -67.21 -44.09 80.44 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 176.338 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -71.77 -16.42 62.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.013 0.435 . . . . 0.0 110.518 175.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -80.24 -17.24 52.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.557 175.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.582 HD23 ' HB2' ' A' ' 425' ' ' LYS . 95.1 mt . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.321 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . 0.476 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 10.0 t70 . . . . . 0 CA--C 1.516 -0.357 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 86.5 mt -108.41 -6.39 16.23 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.507 0.67 . . . . 0.0 109.336 178.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 43.5 t -67.25 -47.17 71.52 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.345 -177.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . 0.961 ' HB3' ' HB2' ' A' ' 412' ' ' LEU . 30.3 mmtm -64.87 -23.84 67.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.927 0.394 . . . . 0.0 110.358 -178.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 426' ' ' GLU . . . . . 0.632 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 32.7 tt0 -71.39 -47.63 54.91 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.745 -177.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -64.74 -35.4 80.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.404 0.621 . . . . 0.0 109.579 176.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -73.36 -37.32 66.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.749 -175.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . 0.867 ' HB3' HD13 ' A' ' 412' ' ' LEU . 4.5 pp -65.99 -35.0 79.38 Favored 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 177.203 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -71.77 -31.97 67.18 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.353 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.539 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 10.6 tp10 -66.56 -50.19 63.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.231 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.631 HG11 HD22 ' A' ' 408' ' ' LEU . 19.2 m -69.31 -31.92 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.571 178.334 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -63.74 -50.89 67.32 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.001 0.429 . . . . 0.0 110.043 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 434' ' ' ARG . . . . . 0.539 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 3.6 ptm180 -61.69 -34.17 75.29 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.39 -177.497 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 435' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 431' ' ' GLU . 82.5 mt -69.76 -58.65 4.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.692 -0.231 . . . . 0.0 111.475 178.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . 0.464 HD11 ' N ' ' A' ' 437' ' ' THR . 4.6 pp -60.98 -30.64 70.39 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.701 0.286 . . . . 0.0 111.255 -177.76 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 437' ' ' THR . . . . . 0.481 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 63.7 m -74.94 -54.5 7.11 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.101 178.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -63.44 -31.8 73.07 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.761 -176.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 45.3 tp -66.81 -59.39 3.58 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.863 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 440' ' ' LYS . . . . . 0.548 ' HB3' HG13 ' A' ' 398' ' ' ILE . 61.3 pttt -59.99 -33.54 72.11 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.784 0.326 . . . . 0.0 111.36 -175.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 441' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 441' ' ' ARG . 10.3 mmm180 -64.87 -64.64 0.82 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.434 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 442' ' ' LYS . . . . . 0.524 ' HD2' ' N ' ' A' ' 442' ' ' LYS . 3.2 mptp? -75.87 -5.91 48.28 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.551 -173.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 50.0 tp . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 121.144 0.497 . . . . 0.0 109.679 172.664 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 . . . . . 0 C--O 1.234 0.279 0 CA-C-O 121.095 0.474 . . . . 0.0 110.041 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . 0.522 ' HA ' ' HB3' ' A' ' 399' ' ' LYS . . . -70.05 -5.33 25.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.559 173.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -66.82 -64.98 2.99 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 177.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.567 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -64.56 -30.48 50.32 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 176.712 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . 0.625 ' O ' ' HG3' ' A' ' 403' ' ' ARG . 15.5 tppt? -56.2 -54.06 49.77 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.66 177.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -68.04 -46.07 72.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.261 0.553 . . . . 0.0 110.369 -178.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -60.81 -44.27 97.08 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.978 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 402' ' ' ILE . . . . . 0.567 HD12 HD11 ' A' ' 398' ' ' ILE . 10.3 tt -65.59 -28.88 45.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 O-C-N 122.971 0.169 . . . . 0.0 111.062 -177.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.625 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 61.2 mtp180 -60.41 -51.96 67.27 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 175.002 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -69.86 -40.08 75.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.815 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 405' ' ' GLN . . . . . 0.547 ' NE2' ' HB3' ' A' ' 436' ' ' LEU . 25.8 mt-30 -68.72 -49.99 54.35 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.447 -176.025 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . 0.409 ' HG2' HG12 ' A' ' 402' ' ' ILE . 11.1 mm-40 -63.25 -30.99 72.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.968 0.414 . . . . 0.0 109.916 176.016 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.568 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 1.4 t80 -62.27 -52.65 62.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.085 177.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . 0.597 HD11 ' N ' ' A' ' 409' ' ' LEU . 3.5 pp -73.82 -33.8 64.32 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.37 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 409' ' ' LEU . . . . . 0.679 ' O ' ' HB2' ' A' ' 413' ' ' HIS . 4.1 tt -59.53 -46.44 88.85 Favored 'General case' 0 C--O 1.225 -0.233 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 176.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.6 -48.98 79.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.557 177.102 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 411' ' ' SER . . . . . 0.512 ' OG ' ' HA ' ' A' ' 408' ' ' LEU . 9.7 p -67.07 -43.05 83.64 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -176.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.726 HD11 ' HB3' ' A' ' 429' ' ' LEU . 4.4 pp -72.8 -23.51 60.8 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 120.226 -0.59 . . . . 0.0 110.388 176.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . 0.679 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 3.2 t-160 -67.66 -30.63 70.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.389 0.614 . . . . 0.0 109.617 173.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -85.62 -14.87 44.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.377 175.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 415' ' ' ASP . . . . . 0.588 ' HB2' ' HA ' ' A' ' 412' ' ' LEU . 5.1 t70 -73.72 -19.91 60.67 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.111 178.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.658 HD22 ' HB2' ' A' ' 425' ' ' LYS . 48.9 mt . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.791 178.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . 0.584 ' OD2' ' HG2' ' A' ' 425' ' ' LYS . 26.2 t70 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 7.2 mp -93.59 -11.31 32.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.174 0.512 . . . . 0.0 110.128 -178.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 1.6 m -66.44 -51.82 52.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.581 -178.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . 0.658 ' HB2' HD22 ' A' ' 416' ' ' LEU . 69.7 mmtt -63.2 -25.74 68.48 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.207 -179.376 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 426' ' ' GLU . . . . . 0.541 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 50.6 mt-10 -66.33 -50.4 63.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.252 0.548 . . . . 0.0 110.011 179.348 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -66.37 -29.59 69.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.371 0.605 . . . . 0.0 109.948 176.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 428' ' ' ARG . . . . . 0.616 ' O ' HG11 ' A' ' 432' ' ' VAL . 15.5 mmt180 -75.89 -43.42 45.48 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.323 -176.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . 0.726 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.5 pp -61.57 -32.45 72.54 Favored 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 178.708 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 430' ' ' TRP . . . . . 0.405 ' N ' HD13 ' A' ' 429' ' ' LEU . 2.9 t90 -77.13 -33.48 56.78 Favored 'General case' 0 N--CA 1.438 -1.045 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.57 178.273 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.444 ' O ' HG13 ' A' ' 435' ' ' ILE . 9.5 tp10 -64.11 -56.49 14.48 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -179.271 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.616 HG11 ' O ' ' A' ' 428' ' ' ARG . 2.6 p -60.57 -34.92 60.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.136 178.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -64.43 -50.99 65.4 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.592 -177.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 434' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -69.54 -27.76 65.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.104 -175.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 435' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 431' ' ' GLU . 79.5 mt -69.19 -55.22 16.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 121.296 -0.162 . . . . 0.0 111.135 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . 0.547 ' HB3' ' NE2' ' A' ' 405' ' ' GLN . 3.9 pp -61.66 -40.02 93.42 Favored 'General case' 0 C--O 1.225 -0.232 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 62.2 m -63.89 -49.11 73.97 Favored 'General case' 0 N--CA 1.455 -0.188 0 O-C-N 123.316 0.385 . . . . 0.0 111.027 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.13 -51.22 70.02 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.825 0.345 . . . . 0.0 110.408 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 50.0 tp -59.11 -53.97 52.27 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.626 -176.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 440' ' ' LYS . . . . . 0.513 ' HB3' HG13 ' A' ' 398' ' ' ILE . 21.6 ptmt -58.3 -36.56 73.51 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.137 0.494 . . . . 0.0 111.325 -175.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -72.4 -49.99 29.71 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.241 -177.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -77.79 -8.9 58.67 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.378 -178.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 53.1 tp . . . . . 0 C--N 1.325 -0.484 0 CA-C-O 120.637 0.256 . . . . 0.0 110.849 177.616 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 . . . . . 0 CA--C 1.522 -0.118 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -68.71 -16.78 63.92 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.245 175.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.77 -58.71 11.0 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 178.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.545 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -71.05 -32.63 48.76 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.627 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 177.002 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . 0.875 ' HE2' ' HA ' ' A' ' 399' ' ' LYS . 0.1 OUTLIER -56.59 -50.23 72.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.829 0.347 . . . . 0.0 110.88 -177.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -70.47 -46.25 64.16 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.177 0.513 . . . . 0.0 110.278 -178.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -65.76 -35.24 80.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.943 -177.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 402' ' ' ILE . . . . . 0.545 HD12 HD11 ' A' ' 398' ' ' ILE . 12.6 tt -70.5 -30.09 41.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 -179.422 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.618 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 77.9 mtp180 -60.94 -44.81 96.72 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 173.511 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . 0.483 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 63.6 mtt85 -68.34 -50.1 55.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.984 178.383 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 405' ' ' GLN . . . . . 0.548 ' NE2' ' HB3' ' A' ' 436' ' ' LEU . 25.5 mt-30 -65.59 -39.59 91.75 Favored 'General case' 0 C--O 1.221 -0.447 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -175.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -77.12 -22.77 52.17 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 119.961 -0.696 . . . . 0.0 110.613 177.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.61 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 4.7 t80 -66.94 -52.91 37.27 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 176.177 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . 0.657 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.9 pp -71.54 -27.04 62.91 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.803 177.503 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 409' ' ' LEU . . . . . 0.543 ' HB2' ' O ' ' A' ' 405' ' ' GLN . 6.0 tt -61.78 -46.88 87.64 Favored 'General case' 0 C--O 1.223 -0.325 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 174.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -58.1 -41.51 83.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.615 176.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 411' ' ' SER . . . . . 0.595 ' O ' ' HG3' ' A' ' 414' ' ' ARG . 25.1 t -63.54 -59.82 4.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.665 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 3.5 pp -65.14 -23.75 67.22 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 122.054 -0.404 . . . . 0.0 111.032 -178.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . 0.488 ' N ' HD12 ' A' ' 412' ' ' LEU . 11.8 t-160 -63.01 -41.15 99.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.776 173.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 414' ' ' ARG . . . . . 0.595 ' HG3' ' O ' ' A' ' 411' ' ' SER . 5.5 ppt_? -81.87 -10.17 59.38 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.848 -177.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 415' ' ' ASP . . . . . 0.569 ' HB2' ' HG2' ' A' ' 425' ' ' LYS . 42.7 m-20 -78.53 -3.32 43.06 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.221 172.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--N 1.327 -0.397 0 CA-C-O 121.184 0.516 . . . . 0.0 110.386 176.009 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . 0.615 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 10.0 t70 . . . . . 0 C--O 1.233 0.222 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . 0.402 ' N ' HD12 ' A' ' 423' ' ' LEU . 7.0 mp -94.0 -27.75 16.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.036 0.446 . . . . 0.0 110.467 -176.643 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 424' ' ' SER . . . . . 0.426 ' O ' ' HB2' ' A' ' 428' ' ' ARG . 28.0 t -65.67 -50.16 65.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.709 -174.48 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . 0.665 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 10.1 mptt -64.1 -32.1 73.53 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.562 -176.201 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 426' ' ' GLU . . . . . 0.71 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 38.1 tt0 -78.84 -48.5 14.61 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.076 -174.235 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -63.96 -29.82 70.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.273 176.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 428' ' ' ARG . . . . . 0.503 ' HA ' ' HB3' ' A' ' 431' ' ' GLU . 70.8 mtt180 -85.26 -26.93 26.35 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -177.439 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . 0.71 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 3.9 pp -63.95 -37.41 87.32 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 119.573 -0.851 . . . . 0.0 108.776 172.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -78.82 -30.27 45.23 Favored 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.2 177.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.503 ' HB3' ' HA ' ' A' ' 428' ' ' ARG . 37.0 tt0 -62.09 -55.54 27.93 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.564 178.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 19.9 m -68.22 -27.65 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.834 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . 0.429 ' HA ' ' HG ' ' A' ' 436' ' ' LEU . 35.7 tt0 -69.41 -44.0 72.28 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.613 179.23 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 434' ' ' ARG . . . . . 0.488 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 20.3 ptt180 -68.37 -26.76 65.74 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 178.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 435' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 431' ' ' GLU . 81.0 mt -73.21 -54.88 14.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.693 175.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . 0.552 HD12 ' N ' ' A' ' 437' ' ' THR . 4.3 pp -60.53 -33.86 73.26 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.776 0.322 . . . . 0.0 111.222 -178.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 437' ' ' THR . . . . . 0.655 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 98.1 m -74.06 -51.41 15.86 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.767 179.596 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -58.99 -43.03 91.38 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.837 0.351 . . . . 0.0 110.673 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 439' ' ' LEU . . . . . 0.465 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 39.7 tp -62.06 -53.13 59.83 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.874 -177.229 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 440' ' ' LYS . . . . . 0.655 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 62.3 pttt -62.44 -34.25 76.42 Favored 'General case' 0 CA--C 1.521 -0.165 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.031 -177.093 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 441' ' ' ARG . . . . . 0.536 ' HG2' ' O ' ' A' ' 437' ' ' THR . 31.0 mmm180 -67.29 -52.19 43.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.825 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 18.1 mttp -64.23 -20.11 65.82 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -178.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 78.9 mt . . . . . 0 C--N 1.327 -0.407 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -178.64 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 . . . . . 0 C--O 1.233 0.199 0 CA-C-O 121.109 0.481 . . . . 0.0 109.871 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -66.22 -17.01 64.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.619 174.236 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.47 -57.27 17.29 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.826 179.898 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.529 HD12 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -70.83 -36.27 63.73 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 178.631 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . 0.676 ' HE2' ' HA ' ' A' ' 399' ' ' LYS . 0.1 OUTLIER -56.43 -57.03 14.05 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -176.052 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -72.21 -36.92 69.31 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.976 0.417 . . . . 0.0 111.182 -178.272 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 401' ' ' GLU . . . . . 0.52 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 33.3 mm-40 -69.56 -37.42 77.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.725 179.935 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 402' ' ' ILE . . . . . 0.596 HG21 ' O ' ' A' ' 399' ' ' LYS . 13.7 tt -67.48 -28.87 43.6 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.374 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 -179.745 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.535 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 81.2 mtp180 -61.2 -45.78 93.18 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 171.928 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -64.89 -45.84 84.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.723 175.716 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 405' ' ' GLN . . . . . 0.52 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 48.1 mt-30 -61.77 -54.24 45.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.966 -178.298 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . 0.448 ' HG3' HG12 ' A' ' 402' ' ' ILE . 45.1 mt-10 -67.16 -22.04 65.78 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.785 0.326 . . . . 0.0 111.102 -178.433 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.535 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 4.3 t80 -64.1 -55.81 19.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.792 176.661 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . 0.511 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.3 pp -72.81 -28.4 62.54 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 178.096 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 409' ' ' LEU . . . . . 0.447 ' N ' HD12 ' A' ' 408' ' ' LEU . 6.9 tt -58.81 -53.18 61.29 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 176.417 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 410' ' ' ASN . . . . . 0.463 HD22 ' NH1' ' A' ' 414' ' ' ARG . 7.6 t30 -58.71 -38.73 78.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.844 177.767 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 11.0 t -61.59 -61.63 2.38 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.825 179.803 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.595 ' HA ' ' OD2' ' A' ' 415' ' ' ASP . 4.3 pp -68.0 -21.42 65.04 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 120.896 0.379 . . . . 0.0 111.258 -177.854 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 18.3 t-160 -66.93 -32.85 74.38 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 174.21 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 414' ' ' ARG . . . . . 0.463 ' NH1' HD22 ' A' ' 410' ' ' ASN . 74.9 mtt180 -86.37 -12.39 49.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.269 179.728 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 415' ' ' ASP . . . . . 0.595 ' OD2' ' HA ' ' A' ' 412' ' ' LEU . 7.2 m-20 -65.69 -20.83 66.44 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.74 0.305 . . . . 0.0 110.601 170.217 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 74.8 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.445 179.6 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 11.4 t70 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -103.64 -32.0 9.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.94 0.4 . . . . 0.0 110.617 -178.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 424' ' ' SER . . . . . 0.503 ' O ' ' HB2' ' A' ' 428' ' ' ARG . 33.1 t -68.63 -44.56 73.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.784 -175.574 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . 0.432 ' CG ' ' HB2' ' A' ' 412' ' ' LEU . 0.0 OUTLIER -65.16 -35.63 81.69 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.574 -177.689 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 426' ' ' GLU . . . . . 0.661 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 11.5 tp10 -64.52 -54.37 33.42 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.279 0.561 . . . . 0.0 110.073 -178.734 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -63.43 -26.29 68.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.582 176.839 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 428' ' ' ARG . . . . . 0.528 ' HA ' ' HE ' ' A' ' 428' ' ' ARG . 0.3 OUTLIER -74.29 -43.17 57.92 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.764 -177.381 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . 0.661 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.5 pp -63.95 -34.87 78.95 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.398 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 430' ' ' TRP . . . . . 0.407 ' N ' HD12 ' A' ' 429' ' ' LEU . 2.7 t90 -74.32 -30.45 62.05 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 120.188 -0.605 . . . . 0.0 110.374 178.003 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 9.5 tp10 -61.57 -58.14 9.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.199 0.523 . . . . 0.0 109.901 176.529 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.411 ' CG2' ' HB3' ' A' ' 405' ' ' GLN . 7.7 p -63.8 -33.94 65.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.931 -179.594 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -64.21 -47.53 79.39 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-O 120.878 0.371 . . . . 0.0 110.609 179.811 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 434' ' ' ARG . . . . . 0.455 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 36.5 ptt180 -68.83 -24.9 64.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.03 -175.665 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 435' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 431' ' ' GLU . 80.5 mt -73.75 -56.35 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.516 0.198 . . . . 0.0 110.798 176.626 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . 0.489 HD12 ' N ' ' A' ' 437' ' ' THR . 4.3 pp -60.91 -33.27 72.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.022 -178.911 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 437' ' ' THR . . . . . 0.696 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 76.4 m -70.87 -50.62 33.13 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.621 0.248 . . . . 0.0 111.047 178.744 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.22 -41.32 96.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.842 0.353 . . . . 0.0 111.053 -177.476 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 439' ' ' LEU . . . . . 0.539 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 41.9 tp -63.64 -53.16 55.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.377 -177.091 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 440' ' ' LYS . . . . . 0.696 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 60.0 pttt -63.21 -30.11 71.32 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.084 0.469 . . . . 0.0 111.091 -177.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -73.27 -46.25 51.0 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.425 -179.303 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -10.54 59.78 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.376 -0.53 . . . . 0.0 111.338 179.699 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 69.4 mt . . . . . 0 C--N 1.327 -0.374 0 CA-C-O 120.654 0.264 . . . . 0.0 111.203 176.043 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . 0.441 ' O ' ' HB2' ' A' ' 399' ' ' LYS . 15.7 mm-40 . . . . . 0 CA--C 1.519 -0.219 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -65.56 -19.58 65.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.489 174.32 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.47 -56.17 21.26 Favored Glycine 0 N--CA 1.45 -0.394 0 N-CA-C 111.582 -0.607 . . . . 0.0 111.582 178.316 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.518 HD12 HD13 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -71.86 -32.52 44.83 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.716 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 175.451 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 395' ' ' GLN . 7.3 tppt? -56.76 -48.57 77.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.676 0.274 . . . . 0.0 110.956 -178.911 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -67.63 -45.24 75.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.848 0.356 . . . . 0.0 110.781 178.28 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -64.49 -43.91 92.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.0 -0.546 . . . . 0.0 112.03 -179.161 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 402' ' ' ILE . . . . . 0.518 HD13 HD12 ' A' ' 398' ' ' ILE . 13.8 tt -65.28 -30.67 50.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 -177.686 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.56 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 97.3 mtt180 -60.3 -51.55 69.07 Favored 'General case' 0 C--O 1.225 -0.205 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 172.252 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . 0.605 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 68.2 mtp180 -63.44 -50.45 69.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.556 -179.91 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 405' ' ' GLN . . . . . 0.439 ' O ' ' HB2' ' A' ' 409' ' ' LEU . 80.5 mt-30 -66.54 -43.74 84.31 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.284 -173.584 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -74.62 -24.43 58.85 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 119.832 -0.747 . . . . 0.0 110.581 178.429 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.56 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.6 t80 -66.74 -53.44 33.24 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 175.887 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' A' ' 404' ' ' ARG . 3.1 pp -70.55 -30.86 67.69 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.008 179.293 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 409' ' ' LEU . . . . . 0.513 HD11 HG21 ' A' ' 432' ' ' VAL . 7.3 tt -60.57 -50.02 75.21 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 175.713 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -58.6 -42.69 88.69 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.155 178.315 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 411' ' ' SER . . . . . 0.575 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 27.9 m -65.87 -53.91 33.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.129 -179.263 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.832 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 4.4 pp -66.05 -21.71 66.39 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.17 0.51 . . . . 0.0 110.548 -179.422 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 13.7 t-160 -65.79 -39.47 90.98 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.428 175.349 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 414' ' ' ARG . . . . . 0.575 ' HG2' ' O ' ' A' ' 411' ' ' SER . 17.7 ptt180 -76.67 -16.88 59.42 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.396 -0.521 . . . . 0.0 110.803 179.069 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 415' ' ' ASP . . . . . 0.574 ' OD2' ' HA ' ' A' ' 412' ' ' LEU . 64.2 m-20 -63.88 -25.86 68.35 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.575 0.226 . . . . 0.0 111.093 172.069 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.41 HD23 ' HB2' ' A' ' 425' ' ' LYS . 64.8 mt . . . . . 0 C--N 1.326 -0.421 0 CA-C-O 121.167 0.508 . . . . 0.0 110.986 -179.592 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . 0.474 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 11.6 t70 . . . . . 0 N--CA 1.455 -0.214 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 88.3 mt -98.09 -8.01 28.53 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.947 -179.793 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 36.9 t -73.96 -51.53 15.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.9 -177.808 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . 0.832 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 3.5 mptp? -58.54 -36.96 74.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.047 179.105 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 426' ' ' GLU . . . . . 0.647 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 8.7 tp10 -62.7 -53.72 50.14 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.283 -177.866 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -64.45 -26.2 68.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.837 177.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -78.06 -37.95 45.51 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.99 -177.835 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . 0.827 ' HB3' HD13 ' A' ' 412' ' ' LEU . 4.2 pp -64.56 -39.29 93.48 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 120.32 -0.552 . . . . 0.0 109.663 177.686 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 430' ' ' TRP . . . . . 0.401 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 2.0 t90 -76.58 -25.38 53.93 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 120.306 -0.558 . . . . 0.0 110.377 178.531 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.454 ' O ' HG13 ' A' ' 435' ' ' ILE . 38.7 tt0 -61.91 -61.94 2.14 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.513 HG21 HD11 ' A' ' 409' ' ' LEU . 34.7 m -66.95 -30.15 48.64 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.307 -178.047 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -62.58 -46.6 87.58 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 121.141 0.496 . . . . 0.0 110.355 -178.588 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 434' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 430' ' ' TRP . 40.4 ptt180 -77.13 -25.05 51.67 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.457 -178.889 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 435' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 431' ' ' GLU . 76.2 mt -68.89 -53.3 27.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.96 175.584 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . 0.498 HD21 HG13 ' A' ' 402' ' ' ILE . 4.5 pp -61.7 -30.32 70.67 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.753 0.311 . . . . 0.0 110.772 179.2 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 437' ' ' THR . . . . . 0.842 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 93.2 m -68.93 -56.74 6.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.778 176.487 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . 0.533 ' O ' ' HD2' ' A' ' 442' ' ' LYS . . . -61.67 -35.95 79.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.081 -179.386 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 31.3 tp -60.85 -53.04 62.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.024 -178.059 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 440' ' ' LYS . . . . . 0.842 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 53.2 pttt -62.84 -25.11 68.11 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.849 -0.341 . . . . 0.0 110.884 -179.572 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 441' ' ' ARG . . . . . 0.552 ' HE ' ' HA ' ' A' ' 441' ' ' ARG . 0.8 OUTLIER -63.05 -57.62 10.04 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.615 177.545 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 442' ' ' LYS . . . . . 0.533 ' HD2' ' O ' ' A' ' 438' ' ' ALA . 0.0 OUTLIER -75.91 -9.76 58.87 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.315 -0.554 . . . . 0.0 111.653 -177.231 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 74.0 mt . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.57 177.862 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 . . . . . 0 C--O 1.234 0.253 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -70.96 -14.78 62.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.796 175.35 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.82 -63.09 4.25 Favored Glycine 0 N--CA 1.442 -0.939 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.176 178.309 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.557 ' HB ' HD23 ' A' ' 439' ' ' LEU . 9.1 tp -66.77 -22.84 30.21 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.735 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 178.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . 0.525 ' O ' HG22 ' A' ' 402' ' ' ILE . 1.6 tppp? -59.51 -55.55 33.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.115 0.483 . . . . 0.0 110.431 175.234 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -73.49 -39.03 65.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.456 179.478 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 401' ' ' GLU . . . . . 0.491 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 46.3 mt-10 -62.83 -39.47 94.43 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.961 178.314 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 402' ' ' ILE . . . . . 0.532 ' HB ' ' O ' ' A' ' 398' ' ' ILE . 9.1 tt -68.93 -29.59 43.88 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.543 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 -178.356 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.571 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 74.3 mtp180 -58.71 -46.05 88.2 Favored 'General case' 0 C--O 1.228 -0.073 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 171.554 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 -67.67 -46.38 72.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.147 178.339 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 405' ' ' GLN . . . . . 0.491 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 45.4 mt-30 -67.13 -49.96 63.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.674 -176.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . 0.411 ' HG2' HG12 ' A' ' 402' ' ' ILE . 7.3 mm-40 -61.88 -29.18 70.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.897 0.379 . . . . 0.0 110.062 177.883 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.571 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 4.2 t80 -62.44 -54.23 43.25 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.113 179.386 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . 0.584 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.3 pp -77.35 -27.35 52.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.382 -179.33 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 409' ' ' LEU . . . . . 0.516 ' O ' ' HB2' ' A' ' 413' ' ' HIS . 5.0 tt -61.48 -45.08 95.75 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 175.339 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 410' ' ' ASN . . . . . 0.445 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 14.2 t-20 -59.4 -47.36 85.73 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.376 177.581 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 411' ' ' SER . . . . . 0.411 ' HA ' ' HG2' ' A' ' 414' ' ' ARG . 23.8 p -65.85 -48.76 70.52 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -177.049 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.714 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 4.4 pp -69.1 -20.66 64.07 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 119.892 -0.723 . . . . 0.0 110.973 177.056 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . 0.516 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 17.5 t-160 -73.76 -42.12 61.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.218 176.046 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 414' ' ' ARG . . . . . 0.445 ' HG2' ' O ' ' A' ' 410' ' ' ASN . 13.6 ptm180 -76.69 -8.86 58.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.842 0.353 . . . . 0.0 111.104 179.59 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -67.45 -21.79 65.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.997 169.859 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.47 HD11 ' HD2' ' A' ' 413' ' ' HIS . 54.6 mt . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.774 -178.631 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . 0.756 ' HB3' ' HB2' ' A' ' 425' ' ' LYS . 2.6 m-20 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.597 0.236 . . . . 0.0 110.548 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -81.59 -29.75 33.21 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 176.328 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 424' ' ' SER . . . . . 0.547 ' O ' ' HG2' ' A' ' 428' ' ' ARG . 70.9 m -70.13 -18.54 63.23 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.021 178.266 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . 0.756 ' HB2' ' HB3' ' A' ' 422' ' ' ASP . 0.9 OUTLIER -64.08 -33.33 75.51 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.243 0.544 . . . . 0.0 109.923 174.27 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 426' ' ' GLU . . . . . 0.653 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 44.5 tt0 -75.25 -39.12 60.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.467 178.577 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . 0.455 ' OE2' ' HA ' ' A' ' 424' ' ' SER . 34.6 mt-10 -60.25 -31.38 70.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.817 172.815 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 428' ' ' ARG . . . . . 0.547 ' HG2' ' O ' ' A' ' 424' ' ' SER . 12.3 mmm180 -74.07 -45.44 49.37 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.278 -178.271 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.3 pp -60.8 -31.81 71.19 Favored 'General case' 0 C--O 1.224 -0.26 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.319 179.248 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -72.05 -37.11 69.75 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 120.743 0.306 . . . . 0.0 110.989 179.805 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.501 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 5.5 tp10 -62.63 -54.54 38.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.451 0.643 . . . . 0.0 109.548 179.721 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 8.2 p -66.72 -32.84 59.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.982 -179.378 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . 0.534 ' HB2' ' O ' ' A' ' 429' ' ' LEU . 5.2 tp-100 -59.43 -50.8 72.54 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.399 0.619 . . . . 0.0 109.966 179.216 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 434' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 4.5 ptm180 -64.59 -33.61 76.32 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.666 -174.809 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 435' ' ' ILE . . . . . . . . . . . . . 83.5 mt -68.4 -56.06 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.019 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . 0.478 HD12 ' N ' ' A' ' 437' ' ' THR . 4.5 pp -64.1 -34.21 77.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.811 -177.848 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 437' ' ' THR . . . . . 0.478 ' N ' HD12 ' A' ' 436' ' ' LEU . 84.0 m -67.29 -48.32 68.0 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.695 -0.23 . . . . 0.0 110.737 178.313 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.94 -43.38 98.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.805 0.336 . . . . 0.0 111.075 -178.072 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 439' ' ' LEU . . . . . 0.557 HD23 ' HB ' ' A' ' 398' ' ' ILE . 36.4 tp -72.32 -50.23 28.47 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.48 -175.776 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 440' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 436' ' ' LEU . 62.1 pttt -66.9 -28.19 68.11 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.651 -173.689 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 -82.36 -38.5 24.09 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.57 0.224 . . . . 0.0 111.088 -179.496 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -73.58 -27.64 61.42 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.797 177.565 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 439' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.991 -179.886 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 . . . . . 0 N--CA 1.455 -0.214 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -70.63 -16.38 62.82 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.237 172.283 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.23 -55.03 28.45 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.7 176.875 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.56 HD13 HD11 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -67.32 -33.88 65.47 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.846 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.007 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . 0.632 ' O ' ' HG3' ' A' ' 403' ' ' ARG . 0.2 OUTLIER -58.86 -44.52 91.05 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.294 178.568 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -63.82 -57.1 10.92 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-O 121.195 0.521 . . . . 0.0 110.102 175.27 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 401' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 47.6 mt-10 -55.95 -49.27 73.99 Favored 'General case' 0 C--O 1.213 -0.839 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.919 -178.208 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 402' ' ' ILE . . . . . 0.56 HD11 HD13 ' A' ' 398' ' ' ILE . 12.2 tt -60.08 -33.99 55.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -173.755 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.632 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 69.8 mtm180 -59.77 -47.68 84.7 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 120.269 -0.572 . . . . 0.0 109.457 174.619 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -77.93 -30.61 50.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.281 -178.43 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 405' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 98.5 mt-30 -71.78 -46.79 57.18 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.553 179.355 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -69.96 -22.78 63.13 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.534 -0.466 . . . . 0.0 109.916 176.333 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.503 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.9 t80 -63.69 -54.23 38.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.446 174.353 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . 0.497 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.3 pp -71.08 -31.17 67.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.057 177.683 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 409' ' ' LEU . . . . . 0.427 ' N ' HD11 ' A' ' 408' ' ' LEU . 6.5 tt -59.14 -50.94 72.13 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 175.795 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 410' ' ' ASN . . . . . 0.478 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 8.4 t30 -61.4 -41.69 97.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.242 177.184 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 39.9 t -57.97 -58.15 9.68 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.062 179.116 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.62 ' O ' ' HB2' ' A' ' 415' ' ' ASP . 4.5 pp -69.52 -18.73 63.7 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.988 -179.813 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -75.03 -32.92 61.69 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 173.877 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 414' ' ' ARG . . . . . 0.478 ' HG2' ' O ' ' A' ' 410' ' ' ASN . 36.3 mmt180 -63.35 -30.72 71.8 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.292 176.525 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 415' ' ' ASP . . . . . 0.62 ' HB2' ' O ' ' A' ' 412' ' ' LEU . 0.4 OUTLIER -45.03 -47.39 11.64 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.955 174.501 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.475 ' CD2' ' HB2' ' A' ' 425' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--N 1.323 -0.544 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.336 -174.84 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . 0.459 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 9.9 t0 . . . . . 0 C--O 1.233 0.196 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 92.1 mt -85.92 -20.0 29.66 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.165 -176.795 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 16.1 t -67.06 -46.89 72.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.51 -177.932 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . 0.475 ' HB2' ' CD2' ' A' ' 416' ' ' LEU . 15.9 mmtm -71.81 -28.18 63.42 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.805 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 426' ' ' GLU . . . . . 0.641 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 34.9 tt0 -66.48 -49.22 67.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.383 -178.526 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.32 -24.14 62.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.151 0.5 . . . . 0.0 110.035 177.649 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -76.68 -44.95 31.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.428 -178.685 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . 0.641 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.2 pp -59.99 -34.2 73.0 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.084 0.469 . . . . 0.0 109.751 177.267 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -72.53 -29.47 63.62 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.181 179.806 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.608 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 37.3 tt0 -77.09 -44.41 30.66 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.864 179.627 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.456 HG13 ' HA ' ' A' ' 429' ' ' LEU . 10.8 p -68.63 -28.82 41.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 C-N-CA 120.327 -0.549 . . . . 0.0 109.925 177.425 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -67.38 -45.74 75.36 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.362 178.471 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 434' ' ' ARG . . . . . 0.608 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 35.8 ptt180 -63.98 -32.37 73.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.566 -177.945 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 435' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 431' ' ' GLU . 73.9 mt -66.82 -55.42 18.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.739 -0.21 . . . . 0.0 111.14 178.623 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . 0.417 HD12 ' N ' ' A' ' 437' ' ' THR . 4.5 pp -62.38 -32.02 72.77 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.786 0.327 . . . . 0.0 110.67 -179.008 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 437' ' ' THR . . . . . 0.775 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 70.6 m -68.79 -56.25 8.62 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.362 178.052 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -62.34 -42.27 99.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.077 -176.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 439' ' ' LEU . . . . . 0.508 ' O ' ' HB2' ' A' ' 443' ' ' LEU . 38.3 tp -57.33 -57.5 12.36 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.388 -178.494 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 440' ' ' LYS . . . . . 0.775 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 59.3 pttt -61.17 -35.8 78.09 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.83 0.348 . . . . 0.0 111.569 -175.044 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 441' ' ' ARG . . . . . 0.471 ' HG2' ' O ' ' A' ' 437' ' ' THR . 10.4 mmm180 -74.05 -50.02 21.55 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -177.684 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -75.01 -9.65 58.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.312 -178.375 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . 0.508 ' HB2' ' O ' ' A' ' 439' ' ' LEU . 9.5 tp . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 121.167 0.508 . . . . 0.0 110.599 177.682 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 . . . . . 0 C--O 1.238 0.486 0 CA-C-O 121.411 0.624 . . . . 0.0 109.607 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -69.44 -16.29 63.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.421 176.347 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.7 -60.27 7.59 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.655 178.899 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.503 HD11 HD13 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -63.15 -36.78 77.36 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.665 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.449 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . 0.635 ' O ' ' HG3' ' A' ' 403' ' ' ARG . 0.9 OUTLIER -58.64 -50.47 73.74 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 120.886 -0.326 . . . . 0.0 111.687 -179.404 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -69.35 -47.83 63.15 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-O 121.1 0.476 . . . . 0.0 110.448 179.777 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 401' ' ' GLU . . . . . 0.45 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 48.7 mt-10 -60.14 -44.34 95.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.962 -179.085 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 402' ' ' ILE . . . . . 0.577 HD11 ' HZ2' ' A' ' 440' ' ' LYS . 12.1 tt -66.37 -30.35 49.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.87 -176.664 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.635 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 76.9 mtt180 -56.47 -51.04 69.94 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 173.739 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . 0.444 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 13.3 mmt180 -75.24 -39.57 59.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.764 -176.568 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 405' ' ' GLN . . . . . 0.532 ' NE2' ' HB3' ' A' ' 436' ' ' LEU . 27.6 mt-30 -68.07 -43.09 79.41 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -178.351 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . 0.499 ' HA ' ' HB3' ' A' ' 409' ' ' LEU . 73.1 mt-10 -76.65 -19.18 58.06 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.162 176.911 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.568 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 4.3 t80 -63.72 -59.03 5.1 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 173.114 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . 0.718 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.0 pp -68.35 -28.43 67.12 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.676 179.052 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 409' ' ' LEU . . . . . 0.499 ' HB3' ' HA ' ' A' ' 406' ' ' GLU . 51.7 tp -60.17 -44.72 94.8 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 174.718 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -66.46 -35.66 80.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.318 176.845 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 47.3 m -63.68 -58.07 8.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.795 177.644 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.718 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 2.0 pp -71.25 -11.16 60.77 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 -177.141 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . 0.458 ' CD2' HD23 ' A' ' 429' ' ' LEU . 7.1 m170 -78.73 -30.94 46.12 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.069 0.461 . . . . 0.0 109.879 171.355 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 -82.97 -7.65 59.64 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.167 0.508 . . . . 0.0 110.028 173.051 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 415' ' ' ASP . . . . . 0.428 ' HB3' ' HD3' ' A' ' 425' ' ' LYS . 84.9 m-20 -83.01 -4.8 58.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.284 169.957 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 412' ' ' LEU . 97.6 mt . . . . . 0 C--N 1.328 -0.364 0 CA-C-O 120.798 0.332 . . . . 0.0 111.004 -177.535 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 C--O 1.233 0.206 0 CA-C-O 121.333 0.587 . . . . 0.0 111.484 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.44 -17.13 49.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.63 -179.87 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 14.1 t -61.7 -42.46 98.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.101 0.477 . . . . 0.0 110.116 177.753 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . 0.428 ' HD3' ' HB3' ' A' ' 415' ' ' ASP . 54.1 mttm -70.41 -29.61 66.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.49 178.4 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 426' ' ' GLU . . . . . 0.674 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 9.6 tp10 -65.38 -53.14 47.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.245 -178.093 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -66.22 -29.83 70.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.437 177.822 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -70.68 -44.44 66.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.674 -177.409 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . 0.674 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 3.9 pp -63.26 -37.92 89.14 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.465 -178.579 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -70.04 -34.73 73.62 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.788 -178.624 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.613 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 5.5 tp10 -62.21 -51.81 66.3 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.398 0.618 . . . . 0.0 109.935 178.539 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 14.7 p -69.83 -34.17 59.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.572 -179.442 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -64.3 -48.77 74.38 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.018 179.617 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 434' ' ' ARG . . . . . 0.613 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 7.4 ptm180 -60.4 -36.65 78.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.41 -175.626 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 435' ' ' ILE . . . . . . . . . . . . . 86.7 mt -67.71 -57.56 9.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.312 179.412 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . 0.532 ' HB3' ' NE2' ' A' ' 405' ' ' GLN . 4.3 pp -59.98 -34.35 73.19 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 121.154 -0.218 . . . . 0.0 110.616 -178.169 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 437' ' ' THR . . . . . 0.703 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 77.3 m -71.87 -54.93 8.55 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.202 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -65.26 -35.93 82.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.714 0.292 . . . . 0.0 111.1 -174.695 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 439' ' ' LEU . . . . . 0.499 HD21 ' HB ' ' A' ' 398' ' ' ILE . 31.9 tp -66.42 -52.92 41.55 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.411 -178.352 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 440' ' ' LYS . . . . . 0.703 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 59.9 pttt -64.66 -29.74 70.74 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 120.576 -0.449 . . . . 0.0 111.098 -176.376 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 441' ' ' ARG . . . . . 0.524 ' HG2' ' O ' ' A' ' 437' ' ' THR . 38.6 mmt180 -73.51 -46.0 50.49 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.413 179.6 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -75.97 -12.87 60.22 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.84 0.352 . . . . 0.0 111.3 -179.133 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 22.9 tp . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.988 -179.459 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . 0.61 ' O ' ' HD3' ' A' ' 399' ' ' LYS . 30.3 mm-40 . . . . . 0 N--CA 1.448 -0.539 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -62.68 -25.26 68.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.689 173.727 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.58 -60.1 7.42 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.194 -0.912 . . . . 0.0 112.237 179.376 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.487 ' HB ' HD23 ' A' ' 439' ' ' LEU . 0.0 OUTLIER -64.73 -32.88 59.9 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.578 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 -177.271 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . 0.61 ' HD3' ' O ' ' A' ' 395' ' ' GLN . 2.1 mptm? -62.42 -49.4 75.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.075 0.464 . . . . 0.0 110.783 179.032 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -67.96 -47.0 69.83 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-O 121.454 0.645 . . . . 0.0 110.106 179.02 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -62.36 -46.08 90.26 Favored 'General case' 0 C--O 1.214 -0.798 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.053 -179.69 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 402' ' ' ILE . . . . . 0.805 HG13 HD11 ' A' ' 436' ' ' LEU . 11.6 tt -58.82 -28.34 37.5 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.336 0 CA-C-N 117.837 0.29 . . . . 0.0 110.42 -178.379 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.605 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 18.9 mtp180 -60.36 -57.25 13.58 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.548 -0.461 . . . . 0.0 109.829 173.235 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . 0.463 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 31.7 ptt180 -75.18 -21.22 58.89 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.605 -178.056 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 405' ' ' GLN . . . . . 0.508 ' HG3' HD23 ' A' ' 436' ' ' LEU . 11.6 mm100 -79.04 -53.12 7.33 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.729 -0.214 . . . . 0.0 111.043 -179.948 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . 0.427 ' O ' ' HB3' ' A' ' 410' ' ' ASN . 8.7 mm-40 -61.56 -24.93 66.99 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 175.087 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.605 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 7.0 t80 -60.56 -59.12 5.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.733 -1.122 . . . . 0.0 110.348 175.924 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . 0.539 HD11 ' N ' ' A' ' 409' ' ' LEU . 2.4 pp -75.49 -28.69 59.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.936 -179.086 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 409' ' ' LEU . . . . . 0.539 ' N ' HD11 ' A' ' 408' ' ' LEU . 7.4 tt -61.87 -48.64 79.61 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 176.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 410' ' ' ASN . . . . . 0.483 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 0.0 OUTLIER -61.86 -39.24 91.2 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 177.952 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 35.4 t -60.95 -58.9 6.48 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.565 179.825 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.707 ' HB2' ' HE3' ' A' ' 425' ' ' LYS . 4.4 pp -67.92 -19.85 65.03 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.044 -178.779 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . 0.459 ' HD2' HD12 ' A' ' 416' ' ' LEU . 19.6 t-160 -74.13 -28.64 61.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.067 0.46 . . . . 0.0 109.974 175.438 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 414' ' ' ARG . . . . . 0.483 ' HG2' ' O ' ' A' ' 410' ' ' ASN . 13.5 mmt180 -71.23 -29.83 65.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.98 175.584 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 415' ' ' ASP . . . . . 0.428 ' CB ' ' HE2' ' A' ' 425' ' ' LYS . 34.6 m-20 -68.83 4.08 1.65 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.849 178.461 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.544 HD23 ' HB2' ' A' ' 425' ' ' LYS . 83.8 mt . . . . . 0 C--N 1.319 -0.729 0 CA-C-O 120.891 0.377 . . . . 0.0 110.702 176.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 11.2 t70 . . . . . 0 CA--C 1.521 -0.154 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.8 mp -113.04 -12.39 13.21 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.312 -177.625 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 424' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 428' ' ' ARG . 42.7 m -86.95 -31.87 20.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.608 0.242 . . . . 0.0 110.933 -174.256 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . 0.707 ' HE3' ' HB2' ' A' ' 412' ' ' LEU . 21.6 mmmt -70.12 -29.91 66.97 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.758 -0.831 . . . . 0.0 108.758 175.102 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 426' ' ' GLU . . . . . 0.637 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 0.5 OUTLIER -66.97 -50.88 60.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.258 179.194 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -60.82 -29.89 69.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.587 175.684 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 428' ' ' ARG . . . . . 0.438 ' O ' HG21 ' A' ' 432' ' ' VAL . 34.9 ttm-85 -74.34 -46.76 38.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.727 -174.913 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . 0.678 ' HB3' HD13 ' A' ' 412' ' ' LEU . 4.1 pp -61.83 -33.15 73.62 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 120.796 0.332 . . . . 0.0 110.307 178.605 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -68.44 -36.49 79.1 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 120.699 -0.401 . . . . 0.0 110.203 -179.371 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.635 ' HA ' ' HG2' ' A' ' 434' ' ' ARG . 26.2 tt0 -67.77 -43.65 79.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.048 176.593 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.438 HG21 ' O ' ' A' ' 428' ' ' ARG . 58.2 t -57.48 -45.62 85.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.893 0.377 . . . . 0.0 110.002 176.76 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -64.28 -49.94 69.88 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.776 -179.267 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 434' ' ' ARG . . . . . 0.635 ' HG2' ' HA ' ' A' ' 431' ' ' GLU . 18.6 ptt180 -63.12 -33.2 74.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.196 -175.46 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 435' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 431' ' ' GLU . 68.2 mt -68.03 -48.06 76.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.831 176.703 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . 0.805 HD11 HG13 ' A' ' 402' ' ' ILE . 96.0 mt -58.7 -45.76 88.78 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 120.72 0.295 . . . . 0.0 110.594 178.95 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 437' ' ' THR . . . . . 0.637 ' O ' ' HG2' ' A' ' 441' ' ' ARG . 53.9 m -58.63 -62.71 1.66 Allowed 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.583 176.714 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . 0.587 ' O ' ' HD3' ' A' ' 442' ' ' LYS . . . -60.04 -32.61 71.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.588 -174.111 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 439' ' ' LEU . . . . . 0.487 HD23 ' HB ' ' A' ' 398' ' ' ILE . 25.1 tp -63.08 -61.75 2.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.743 -176.297 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 440' ' ' LYS . . . . . 0.434 ' HB3' HG23 ' A' ' 398' ' ' ILE . 60.5 pttt -65.25 -37.85 88.49 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -173.295 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 441' ' ' ARG . . . . . 0.637 ' HG2' ' O ' ' A' ' 437' ' ' THR . 13.7 mmm180 -59.4 -52.9 63.64 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.956 0.408 . . . . 0.0 110.675 -177.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 442' ' ' LYS . . . . . 0.587 ' HD3' ' O ' ' A' ' 438' ' ' ALA . 3.8 mptp? -76.36 -36.61 58.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.076 -177.516 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . 0.435 ' HB2' ' O ' ' A' ' 439' ' ' LEU . 11.1 mp . . . . . 0 C--N 1.326 -0.428 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -175.923 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 . . . . . 0 C--O 1.235 0.339 0 CA-C-O 121.329 0.585 . . . . 0.0 109.526 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -63.5 -17.29 62.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.879 174.68 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.5 -57.41 13.0 Favored Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.654 179.632 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.707 ' O ' ' HB ' ' A' ' 402' ' ' ILE . 6.2 tp -69.86 -22.0 24.5 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.503 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 178.299 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . 0.459 ' HD3' ' HA ' ' A' ' 399' ' ' LYS . 15.8 tppt? -58.77 -58.42 8.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.605 0.24 . . . . 0.0 110.619 174.495 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -69.98 -38.48 76.06 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 120.986 0.422 . . . . 0.0 110.974 -179.946 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 401' ' ' GLU . . . . . 0.58 ' HB2' ' HA ' ' A' ' 398' ' ' ILE . 59.4 mm-40 -55.61 -49.27 73.25 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.212 174.438 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 402' ' ' ILE . . . . . 0.707 ' HB ' ' O ' ' A' ' 398' ' ' ILE . 0.3 OUTLIER -61.89 -30.26 48.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.371 -176.535 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.559 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 57.6 mtt180 -57.77 -53.44 58.13 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 174.122 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 34.5 mtm105 -70.68 -43.24 69.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.497 -179.273 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 405' ' ' GLN . . . . . 0.455 ' NE2' ' HB3' ' A' ' 401' ' ' GLU . 75.5 mt-30 -65.81 -45.17 83.34 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -178.275 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . 0.423 ' HA ' ' HB3' ' A' ' 409' ' ' LEU . 36.3 mt-10 -75.44 -18.4 59.9 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.627 178.49 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.559 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 4.5 t80 -65.31 -55.74 16.56 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 174.818 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . 0.554 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.8 pp -71.68 -29.09 64.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.769 178.132 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 409' ' ' LEU . . . . . 0.548 ' HA ' HD11 ' A' ' 412' ' ' LEU . 6.4 tt -60.53 -46.9 88.45 Favored 'General case' 0 CA--C 1.523 -0.086 0 N-CA-C 109.03 -0.729 . . . . 0.0 109.03 175.431 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -58.45 -39.94 81.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.952 178.444 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 20.8 m -59.86 -45.97 90.77 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 120.797 0.332 . . . . 0.0 111.204 177.508 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.556 ' HB2' ' HB3' ' A' ' 429' ' ' LEU . 9.3 mt -64.96 -44.97 87.66 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-O 121.985 0.898 . . . . 0.0 109.834 177.037 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -62.89 -38.1 89.57 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.127 -1.397 . . . . 0.0 111.207 -177.304 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 414' ' ' ARG . . . . . 0.489 ' HA ' ' NE ' ' A' ' 414' ' ' ARG . 3.4 mmp_? -82.81 -19.12 38.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.343 -179.468 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 415' ' ' ASP . . . . . 0.482 ' CG ' ' HZ1' ' A' ' 425' ' ' LYS . 12.3 t70 -58.56 -41.74 86.33 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.354 0.597 . . . . 0.0 109.89 177.005 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 19.6 mt . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.761 -179.741 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . 0.484 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 16.3 t0 . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . 0.402 ' N ' HD21 ' A' ' 423' ' ' LEU . 2.7 mm? -99.76 -13.15 19.4 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.226 0.536 . . . . 0.0 110.168 -177.186 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 32.7 t -75.37 -39.9 58.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.112 -176.8 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . 0.484 ' HG2' ' OD1' ' A' ' 422' ' ' ASP . 22.9 mmtp -62.89 -33.75 75.96 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.296 178.385 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 426' ' ' GLU . . . . . 0.552 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 0.7 OUTLIER -67.57 -52.93 32.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.822 -176.547 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -62.4 -30.11 70.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.788 177.571 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -77.59 -49.12 15.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.423 -176.289 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . 0.556 ' HB3' ' HB2' ' A' ' 412' ' ' LEU . 4.2 pp -58.63 -34.99 71.8 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.559 176.107 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -74.44 -33.74 63.02 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 120.454 -0.499 . . . . 0.0 111.108 179.47 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.619 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 41.5 tt0 -60.97 -54.49 44.29 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.104 0.478 . . . . 0.0 110.128 178.347 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.495 HG22 HD12 ' A' ' 408' ' ' LEU . 11.9 p -67.49 -33.03 59.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.703 179.397 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -62.95 -47.19 84.29 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.177 179.066 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 434' ' ' ARG . . . . . 0.619 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 4.9 ptm180 -66.33 -28.36 68.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.658 -175.234 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 435' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 431' ' ' GLU . 68.5 mt -70.32 -57.8 7.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.051 176.517 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . 0.596 ' HB2' HG13 ' A' ' 402' ' ' ILE . 4.5 pp -60.6 -31.14 70.32 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.098 -179.817 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 437' ' ' THR . . . . . 0.653 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 98.0 m -68.58 -56.48 8.14 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 176.82 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.2 -35.78 78.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.224 -176.427 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 439' ' ' LEU . . . . . 0.695 HD23 HD11 ' A' ' 398' ' ' ILE . 42.9 tp -68.62 -54.35 16.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.018 -177.507 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 440' ' ' LYS . . . . . 0.653 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 56.9 pttt -61.3 -32.52 72.37 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.863 0.363 . . . . 0.0 110.75 -177.311 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 441' ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' ' 437' ' ' THR . 42.4 mmt180 -68.13 -61.61 1.78 Allowed 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.38 177.797 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.43 9.12 2.85 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -176.594 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . 0.62 ' HB2' ' O ' ' A' ' 439' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.323 -0.563 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 172.479 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . 0.601 ' O ' ' HD3' ' A' ' 399' ' ' LYS . 2.1 mm-40 . . . . . 0 N--CA 1.45 -0.445 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -61.32 -28.3 69.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.685 173.757 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.9 -58.26 13.69 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.063 -0.971 . . . . 0.0 112.256 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.735 HD11 HD23 ' A' ' 439' ' ' LEU . 10.7 tp -69.8 -21.29 24.1 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 C-N-CA 120.626 -0.429 . . . . 0.0 110.605 -176.534 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . 0.601 ' HD3' ' O ' ' A' ' 395' ' ' GLN . 1.2 mptm? -67.82 -48.35 66.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.491 0.186 . . . . 0.0 111.013 178.457 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -62.39 -50.27 72.22 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 121.625 0.726 . . . . 0.0 109.912 176.237 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -58.77 -53.07 62.47 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 114.75 -1.113 . . . . 0.0 111.091 -178.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 402' ' ' ILE . . . . . 0.64 HG13 HD11 ' A' ' 436' ' ' LEU . 13.6 tt -60.26 -31.01 47.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -173.495 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.607 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 99.2 mtt180 -59.34 -55.36 35.77 Favored 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 120.46 -0.496 . . . . 0.0 109.895 174.003 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . 0.616 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 20.3 mtm180 -70.25 -38.09 75.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.075 -179.094 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 405' ' ' GLN . . . . . 0.425 ' HB2' ' HA ' ' A' ' 402' ' ' ILE . 13.8 mm100 -64.09 -52.69 58.04 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.473 -177.741 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -71.45 -19.89 62.17 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.512 179.537 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.607 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.4 t80 -67.18 -55.73 12.88 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 174.898 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 404' ' ' ARG . 2.7 pp -72.06 -27.86 62.96 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.079 178.777 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 409' ' ' LEU . . . . . 0.49 ' N ' HD12 ' A' ' 408' ' ' LEU . 7.1 tt -61.2 -49.85 75.5 Favored 'General case' 0 C--O 1.223 -0.294 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 175.402 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -61.52 -34.51 75.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.476 177.704 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 411' ' ' SER . . . . . 0.55 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 40.4 t -67.0 -57.56 6.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.818 178.171 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.789 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 4.5 pp -67.24 -19.82 65.58 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.817 -179.08 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . 0.476 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 15.0 t-160 -69.02 -40.59 78.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.475 175.396 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 414' ' ' ARG . . . . . 0.55 ' HG2' ' O ' ' A' ' 411' ' ' SER . 9.4 ptp85 -75.48 -14.42 60.43 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-O 121.167 0.508 . . . . 0.0 109.812 178.676 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -75.63 -3.7 35.94 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.647 176.716 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 94.6 mt . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.466 179.915 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 13.5 t70 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.9 mp -103.25 -29.63 11.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.783 0.325 . . . . 0.0 110.543 -178.506 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 424' ' ' SER . . . . . 0.499 ' O ' ' HG2' ' A' ' 428' ' ' ARG . 67.5 p -64.52 -48.37 75.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.462 -174.396 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . 0.789 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 0.5 OUTLIER -60.92 -27.07 67.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.004 0.43 . . . . 0.0 111.479 -177.17 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 426' ' ' GLU . . . . . 0.606 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 33.4 tt0 -72.28 -49.23 36.4 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.315 0.579 . . . . 0.0 109.786 -179.057 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -63.47 -33.03 74.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.672 176.46 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 428' ' ' ARG . . . . . 0.52 ' O ' HG21 ' A' ' 432' ' ' VAL . 25.8 mmt180 -74.54 -39.1 62.53 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.304 -175.81 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 3.6 pp -62.62 -37.84 87.87 Favored 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 120.182 -0.607 . . . . 0.0 109.593 177.362 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -73.12 -34.17 65.97 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 120.536 -0.466 . . . . 0.0 109.758 179.478 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -61.03 -47.76 84.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.844 175.162 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.52 HG21 ' O ' ' A' ' 428' ' ' ARG . 89.9 t -60.44 -48.66 87.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.414 176.03 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -62.41 -43.38 98.96 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.165 -176.538 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 434' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -68.5 -34.39 75.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.75 -176.17 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 435' ' ' ILE . . . . . . . . . . . . . 70.9 mt -71.22 -46.62 64.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 178.186 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . 0.64 HD11 HG13 ' A' ' 402' ' ' ILE . 98.1 mt -54.33 -55.73 25.5 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.276 175.821 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 29.8 m -58.38 -55.57 33.34 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.514 -177.799 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -56.29 -47.68 78.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.63 0.252 . . . . 0.0 111.247 -176.256 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 439' ' ' LEU . . . . . 0.735 HD23 HD11 ' A' ' 398' ' ' ILE . 36.0 tp -64.99 -56.87 10.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.343 -176.828 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 440' ' ' LYS . . . . . 0.538 ' HB3' HG12 ' A' ' 398' ' ' ILE . 21.6 ptmt -60.61 -34.05 73.65 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.967 0.413 . . . . 0.0 111.639 -174.341 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 441' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 441' ' ' ARG . 15.2 mmt180 -71.64 -45.96 60.46 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.398 -177.173 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -66.85 -21.48 66.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 0.0 111.294 176.144 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 94.0 mt . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.651 -179.173 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -62.53 -22.35 66.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.206 172.041 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.03 -63.53 4.85 Favored Glycine 0 N--CA 1.443 -0.887 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.289 178.065 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.494 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -71.82 -32.75 45.84 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.598 0 CA-C-N 115.688 -0.256 . . . . 0.0 110.62 -179.135 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.15 -43.36 99.0 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.874 -178.219 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 404' ' ' ARG . 37.4 tt0 -72.49 -44.7 61.91 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.341 177.122 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -61.62 -46.31 90.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.727 -179.183 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 402' ' ' ILE . . . . . . . . . . . . . 14.4 tt -65.16 -33.99 67.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 C-N-CA 122.056 0.143 . . . . 0.0 110.783 -177.16 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.58 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 61.9 mtp180 -60.87 -46.72 89.5 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 120.657 -0.417 . . . . 0.0 109.891 175.908 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 400' ' ' GLU . 55.1 mtt180 -71.61 -41.13 69.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.39 -179.711 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 405' ' ' GLN . . . . . 0.427 ' HB3' ' HB ' ' A' ' 432' ' ' VAL . 74.3 mt-30 -69.42 -45.2 69.73 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.71 -176.904 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . 0.537 ' HA ' ' HB3' ' A' ' 409' ' ' LEU . 53.2 mt-10 -73.0 -20.98 60.91 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.504 -0.479 . . . . 0.0 110.533 178.175 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.58 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.5 t80 -66.74 -53.11 36.79 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 174.858 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . 0.768 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.6 pp -71.45 -30.06 65.59 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.681 176.888 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 409' ' ' LEU . . . . . 0.582 ' HA ' HD12 ' A' ' 412' ' ' LEU . 3.2 tm? -56.91 -45.16 82.83 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 174.921 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -59.6 -42.94 93.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.077 175.294 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 22.7 t -60.92 -54.88 39.63 Favored 'General case' 0 C--O 1.218 -0.569 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.806 178.952 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.768 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 10.6 mt -51.63 -40.44 59.93 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 121.478 0.656 . . . . 0.0 110.512 -178.948 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -64.3 -29.97 71.04 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.698 178.653 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -86.48 -28.04 23.69 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.961 0.41 . . . . 0.0 110.434 175.093 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -69.03 -13.86 62.7 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.251 177.796 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 412' ' ' LEU . 95.6 mt . . . . . 0 C--N 1.323 -0.554 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.718 -179.24 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . 0.589 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 14.5 t70 . . . . . 0 N--CA 1.456 -0.141 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.9 mp -94.68 -27.72 15.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.846 0.355 . . . . 0.0 110.95 -175.135 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 424' ' ' SER . . . . . 0.433 ' O ' ' HG2' ' A' ' 428' ' ' ARG . 22.7 t -68.17 -47.63 67.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.913 -179.122 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . 0.589 ' HG2' ' OD1' ' A' ' 422' ' ' ASP . 48.0 mmtt -56.82 -34.97 68.26 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.333 0.587 . . . . 0.0 110.253 -179.784 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 426' ' ' GLU . . . . . 0.685 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 7.2 tp10 -70.48 -51.33 29.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.096 -175.92 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -65.06 -29.61 70.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.414 178.598 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 428' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 424' ' ' SER . 18.3 mmt180 -76.67 -41.26 46.27 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.517 -177.816 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . 0.685 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.3 pp -61.24 -34.62 75.44 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.695 177.399 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -80.82 -25.3 37.87 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.609 178.446 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.454 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 9.4 tp10 -62.03 -57.31 12.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.089 177.904 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.659 HG13 HD11 ' A' ' 408' ' ' LEU . 31.9 m -69.95 -32.85 53.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 C-N-CA 121.12 -0.232 . . . . 0.0 111.077 -178.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -61.37 -43.43 98.88 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.93 0.395 . . . . 0.0 110.43 -179.195 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 434' ' ' ARG . . . . . 0.454 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 29.1 ptt180 -72.21 -31.6 66.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.532 -179.731 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 435' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 431' ' ' GLU . 83.0 mt -70.79 -56.96 8.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.733 -0.212 . . . . 0.0 111.354 179.137 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . . . . . . . . . 4.5 pp -59.01 -32.7 69.95 Favored 'General case' 0 N--CA 1.461 0.082 0 C-N-CA 121.248 -0.181 . . . . 0.0 110.907 -177.034 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 437' ' ' THR . . . . . 0.772 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 41.6 m -74.75 -52.06 12.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.259 179.488 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.42 -38.43 87.1 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.779 0.323 . . . . 0.0 110.561 -178.406 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 439' ' ' LEU . . . . . 0.675 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 29.9 tp -62.94 -61.17 2.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.047 -179.496 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 440' ' ' LYS . . . . . 0.772 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 58.1 pttt -59.62 -34.67 73.07 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.089 0.471 . . . . 0.0 111.725 -175.202 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -76.34 -39.86 52.83 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.524 -177.56 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -79.39 -11.74 59.92 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.314 179.424 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . 0.675 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 71.3 mt . . . . . 0 C--N 1.326 -0.449 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.059 177.325 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . 0.505 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 22.9 tp60 . . . . . 0 C--O 1.234 0.28 0 CA-C-O 121.031 0.443 . . . . 0.0 109.957 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -66.36 -17.96 65.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.85 177.91 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -58.03 -56.6 24.29 Favored Glycine 0 N--CA 1.451 -0.363 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 -179.582 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.586 HD11 HD11 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -71.3 -36.07 60.2 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.861 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 177.854 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . 0.505 ' HG2' ' O ' ' A' ' 395' ' ' GLN . 24.8 mmtp -60.06 -46.6 89.02 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.853 -175.33 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -69.89 -44.45 69.72 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 120.857 0.361 . . . . 0.0 110.766 179.438 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -67.34 -38.67 85.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.911 -179.466 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 402' ' ' ILE . . . . . 0.586 HD11 HD11 ' A' ' 398' ' ' ILE . 14.8 tt -67.32 -33.49 63.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 -177.637 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.557 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 72.6 mtp180 -60.83 -43.33 98.39 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 175.024 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . 0.49 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 91.7 mtt180 -67.55 -50.17 59.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.587 176.179 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 405' ' ' GLN . . . . . 0.544 ' O ' ' HB2' ' A' ' 409' ' ' LEU . 28.9 mt-30 -63.03 -43.82 97.66 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.358 -175.639 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . 0.405 ' HG3' HG12 ' A' ' 402' ' ' ILE . 49.8 mt-10 -73.01 -27.49 61.81 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.875 178.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.557 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.5 t80 -66.29 -51.82 53.57 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 177.815 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . 0.662 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.2 pp -71.61 -30.24 65.57 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.453 176.947 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 409' ' ' LEU . . . . . 0.544 ' HB2' ' O ' ' A' ' 405' ' ' GLN . 6.0 tt -57.21 -54.27 48.65 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 108.706 -0.849 . . . . 0.0 108.706 175.019 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -52.05 -43.12 63.62 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.484 0.49 . . . . 0.0 110.859 177.864 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 19.3 m -62.85 -57.34 11.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.197 -178.338 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 3.7 pp -74.94 -16.11 60.66 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 121.068 0.461 . . . . 0.0 111.181 -178.095 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . 0.444 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 20.5 t-160 -72.42 -37.91 68.51 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 174.448 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -87.98 -5.79 58.34 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.023 179.44 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 415' ' ' ASP . . . . . 0.527 ' HB2' ' HA ' ' A' ' 412' ' ' LEU . 4.8 t70 -65.55 -25.41 67.42 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.646 0.736 . . . . 0.0 109.968 174.435 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 34.5 mt . . . . . 0 C--N 1.32 -0.706 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.186 178.3 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . 0.515 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 9.9 t0 . . . . . 0 N--CA 1.455 -0.216 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . 0.404 HD13 ' N ' ' A' ' 423' ' ' LEU . 6.5 mp -95.76 -22.57 17.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.117 -176.72 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 24.8 m -66.93 -35.67 80.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.382 -178.646 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . 0.546 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 0.2 OUTLIER -69.52 -28.83 66.37 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.648 177.09 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 426' ' ' GLU . . . . . 0.665 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 44.2 mt-10 -70.32 -52.43 22.76 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.254 0.549 . . . . 0.0 110.119 179.464 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -66.95 -20.3 65.87 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.513 -179.614 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 -82.37 -42.91 18.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.597 -179.306 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.3 pp -61.96 -36.11 80.46 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.967 0.413 . . . . 0.0 110.087 179.035 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 4.1 t90 -77.55 -31.24 53.16 Favored 'General case' 0 N--CA 1.438 -1.046 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.139 179.425 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.522 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 33.3 tt0 -64.77 -49.98 68.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.733 -179.605 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 16.1 m -69.89 -28.46 36.8 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.578 178.801 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -70.59 -48.03 57.28 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.755 0.312 . . . . 0.0 110.408 179.508 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 434' ' ' ARG . . . . . 0.522 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 35.1 ptt180 -61.77 -31.58 71.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.111 -178.445 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 435' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 431' ' ' GLU . 79.1 mt -72.91 -53.28 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.991 177.366 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . 0.468 ' HB3' ' NE2' ' A' ' 405' ' ' GLN . 4.6 pp -61.48 -32.49 72.51 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.823 0.344 . . . . 0.0 110.819 -177.615 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 437' ' ' THR . . . . . 0.485 ' O ' ' HG2' ' A' ' 441' ' ' ARG . 58.4 m -68.63 -57.71 5.33 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.872 178.389 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -63.84 -36.42 83.86 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.729 0.3 . . . . 0.0 111.239 -176.224 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 439' ' ' LEU . . . . . 0.444 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 43.2 tp -60.71 -54.75 41.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.959 -178.734 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 440' ' ' LYS . . . . . 0.509 ' HB3' HG13 ' A' ' 398' ' ' ILE . 18.1 pttp -64.37 -27.5 69.05 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.869 0.366 . . . . 0.0 111.056 -177.098 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 441' ' ' ARG . . . . . 0.485 ' HG2' ' O ' ' A' ' 437' ' ' THR . 28.4 mmm180 -65.91 -51.55 57.65 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.486 177.436 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -72.41 -10.97 60.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.667 0.27 . . . . 0.0 111.654 -179.398 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 74.8 mt . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.684 178.797 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . 0.614 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 19.6 mm-40 . . . . . 0 CA--C 1.52 -0.188 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 . . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -64.5 -22.1 66.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.166 174.277 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.37 -59.24 10.25 Favored Glycine 0 N--CA 1.445 -0.748 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.652 -179.715 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.499 ' HB ' HD23 ' A' ' 439' ' ' LEU . 0.0 OUTLIER -67.06 -34.58 70.69 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.745 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 -177.588 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . 0.614 ' HG2' ' O ' ' A' ' 395' ' ' GLN . 33.9 mmtp -58.31 -53.32 59.61 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.308 -178.839 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -68.77 -44.76 73.03 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-O 121.502 0.668 . . . . 0.0 110.25 -179.045 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 401' ' ' GLU . . . . . 0.636 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 41.9 mt-10 -62.36 -45.77 91.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.215 179.499 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 402' ' ' ILE . . . . . 0.489 HD12 HD13 ' A' ' 398' ' ' ILE . 13.3 tt -65.4 -35.06 74.42 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.451 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -172.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.592 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 17.4 ptm180 -64.02 -39.24 93.65 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 119.231 -0.988 . . . . 0.0 109.777 176.83 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 -70.62 -38.9 73.99 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.239 174.545 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 405' ' ' GLN . . . . . 0.636 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 46.0 mt-30 -66.21 -54.59 23.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.448 179.701 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.29 -28.45 69.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.776 0.322 . . . . 0.0 110.137 179.307 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.592 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 4.8 t80 -63.08 -53.49 52.87 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.098 178.493 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . 0.543 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.0 pp -73.22 -31.46 64.17 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 178.868 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 409' ' ' LEU . . . . . 0.496 ' N ' HD11 ' A' ' 408' ' ' LEU . 5.6 tt -60.23 -48.59 81.09 Favored 'General case' 0 C--O 1.223 -0.342 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 177.427 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -55.43 -45.3 76.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.891 174.427 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 411' ' ' SER . . . . . 0.405 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 40.5 m -63.21 -52.92 60.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.309 -177.38 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.743 ' HB2' ' HB3' ' A' ' 425' ' ' LYS . 4.1 pp -71.47 -23.32 61.8 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.129 -179.845 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . 0.443 ' N ' HD13 ' A' ' 412' ' ' LEU . 11.8 t-160 -65.75 -40.69 92.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.769 0.318 . . . . 0.0 110.748 176.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 414' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 411' ' ' SER . 15.1 ptm180 -82.44 -16.66 48.09 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.083 -179.918 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -67.69 -21.25 65.33 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.12 175.302 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.496 HD21 ' HB2' ' A' ' 425' ' ' LYS . 45.8 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.834 177.056 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . 0.465 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 11.8 t70 . . . . . 0 CA--C 1.519 -0.249 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 . . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.3 mp -119.4 -7.71 10.16 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.527 0.68 . . . . 0.0 109.94 177.416 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 4.7 t -73.23 -40.77 64.42 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.862 -174.453 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . 0.743 ' HB3' ' HB2' ' A' ' 412' ' ' LEU . 21.0 mmtm -69.6 -23.44 63.52 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -179.541 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 426' ' ' GLU . . . . . 0.614 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 30.3 tt0 -72.53 -42.14 65.07 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 -178.57 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -64.05 -28.52 69.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.833 173.37 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 35.0 mmt180 -76.23 -43.98 39.65 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.336 -179.873 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.3 pp -62.48 -33.02 74.03 Favored 'General case' 0 CA--C 1.513 -0.451 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.608 -179.261 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -76.43 -34.13 58.77 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 120.037 -0.665 . . . . 0.0 110.262 179.149 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.64 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 43.6 tt0 -62.79 -53.73 49.76 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.224 178.498 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 9.0 p -66.48 -34.24 68.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.84 179.668 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -62.85 -48.92 76.97 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 120.925 0.393 . . . . 0.0 110.306 178.681 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 434' ' ' ARG . . . . . 0.64 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 11.5 ptm180 -64.21 -29.52 70.62 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.592 -175.037 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 435' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 431' ' ' GLU . 73.8 mt -71.15 -56.99 8.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.161 177.757 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . 0.457 HD12 ' N ' ' A' ' 437' ' ' THR . 4.3 pp -60.99 -35.79 77.76 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 120.638 0.256 . . . . 0.0 111.12 -177.937 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 437' ' ' THR . . . . . 0.457 ' N ' HD12 ' A' ' 436' ' ' LEU . 56.5 m -69.41 -52.57 25.61 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.159 178.951 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -65.05 -32.09 73.63 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 120.762 0.315 . . . . 0.0 110.773 -176.373 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 439' ' ' LEU . . . . . 0.499 HD23 ' HB ' ' A' ' 398' ' ' ILE . 33.3 tp -65.69 -60.66 2.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.806 -177.226 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 440' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -62.35 -36.77 83.27 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.673 -175.734 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -70.25 -42.14 72.56 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.139 -177.7 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -69.5 -38.15 77.51 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 121.029 -0.268 . . . . 0.0 110.931 177.707 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 56.6 mt . . . . . 0 C--N 1.326 -0.455 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -177.03 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . 0.647 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 28.3 mm-40 . . . . . 0 CA--C 1.518 -0.28 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -62.24 -23.39 66.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.169 175.299 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 397' ' ' GLY . . . . . 0.466 ' O ' ' HB2' ' A' ' 401' ' ' GLU . . . -61.1 -58.4 13.76 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.663 176.691 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.909 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -71.07 -33.63 52.15 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.379 0 O-C-N 123.452 0.148 . . . . 0.0 110.664 -179.278 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . 0.647 ' HG2' ' O ' ' A' ' 395' ' ' GLN . 34.1 mmtp -59.96 -59.55 5.25 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.576 -179.255 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -63.77 -43.31 96.76 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.059 0.457 . . . . 0.0 110.213 -178.289 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 401' ' ' GLU . . . . . 0.466 ' HB2' ' O ' ' A' ' 397' ' ' GLY . 10.4 tt0 -54.94 -54.66 39.91 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.362 175.65 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 402' ' ' ILE . . . . . 0.909 HD12 HD11 ' A' ' 398' ' ' ILE . 0.3 OUTLIER -58.19 -29.9 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 O-C-N 123.385 0.428 . . . . 0.0 111.4 -177.117 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.639 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 81.0 mtp180 -57.0 -52.97 63.13 Favored 'General case' 0 CA--C 1.521 -0.168 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 174.794 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . 0.415 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 20.8 mmm180 -75.92 -39.29 56.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.093 -179.671 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 405' ' ' GLN . . . . . 0.545 ' HB2' ' HA ' ' A' ' 402' ' ' ILE . 12.9 mm100 -61.96 -47.9 82.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.135 -179.36 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . 0.632 ' HA ' ' HB3' ' A' ' 409' ' ' LEU . 33.9 mt-10 -76.87 -18.78 58.13 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.507 178.236 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.639 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 4.6 t80 -67.19 -51.8 49.14 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 175.199 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . 0.678 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.2 pp -70.79 -32.13 69.13 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.317 176.33 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 409' ' ' LEU . . . . . 0.632 ' HB3' ' HA ' ' A' ' 406' ' ' GLU . 52.3 tp -59.15 -45.07 91.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.145 0.498 . . . . 0.0 109.673 174.544 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -60.27 -44.61 95.18 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.388 -0.823 . . . . 0.0 109.922 176.157 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 24.7 m -62.24 -57.39 11.63 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.249 -179.666 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.678 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 3.3 pp -67.8 -16.56 64.17 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -176.919 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . 0.435 ' HE2' HD11 ' A' ' 429' ' ' LEU . 5.3 m170 -70.02 -40.95 74.9 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 120.735 0.302 . . . . 0.0 110.803 173.37 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 28.6 ptt180 -80.43 -13.77 58.85 Favored 'General case' 0 C--N 1.328 -0.37 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.401 178.185 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 415' ' ' ASP . . . . . 0.459 ' OD2' ' HA ' ' A' ' 412' ' ' LEU . 17.1 m-20 -69.56 -17.25 63.54 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.923 0.392 . . . . 0.0 110.148 172.434 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.437 HD22 ' HB2' ' A' ' 425' ' ' LYS . 44.4 mt . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.248 176.959 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . 0.554 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 9.9 t70 . . . . . 0 N--CA 1.455 -0.199 0 CA-C-O 120.953 0.406 . . . . 0.0 110.066 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 91.1 mt -82.76 -14.48 54.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.199 -177.533 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 35.2 t -71.71 -53.32 13.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.944 -178.142 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . 0.554 ' HD3' ' OD1' ' A' ' 422' ' ' ASP . 12.1 mptt -62.53 -29.58 70.67 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.985 -179.217 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 426' ' ' GLU . . . . . 0.684 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 34.7 tt0 -68.58 -57.81 5.2 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.687 -176.33 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -62.97 -29.21 70.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.992 0.425 . . . . 0.0 110.423 177.421 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 428' ' ' ARG . . . . . 0.474 ' O ' HG12 ' A' ' 432' ' ' VAL . 17.9 ttt180 -73.31 -39.38 65.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.853 -178.306 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . 0.684 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 3.6 pp -64.11 -32.94 74.69 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.293 -179.939 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -77.07 -32.89 57.11 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.375 177.17 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.48 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 36.1 tt0 -60.37 -57.41 12.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.353 176.729 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.525 HG23 ' NE2' ' A' ' 405' ' ' GLN . 4.9 p -61.52 -38.44 80.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 179.5 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -63.37 -47.36 82.39 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.332 -177.978 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 434' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 2.4 ptm180 -69.42 -28.3 66.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.492 -175.587 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 435' ' ' ILE . . . . . . . . . . . . . 72.3 mt -74.43 -53.06 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.217 178.934 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . 0.67 ' HB2' HG13 ' A' ' 402' ' ' ILE . 4.4 pp -61.49 -33.17 73.32 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.672 0.272 . . . . 0.0 110.788 -179.822 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 437' ' ' THR . . . . . 0.493 ' N ' HD11 ' A' ' 436' ' ' LEU . 46.8 m -72.1 -55.97 6.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.817 177.876 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.02 -31.14 70.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.668 0.271 . . . . 0.0 111.052 -177.835 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 439' ' ' LEU . . . . . 0.676 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 45.6 tp -63.57 -61.42 2.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.392 179.148 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 440' ' ' LYS . . . . . 0.518 ' HB3' HG13 ' A' ' 398' ' ' ILE . 56.3 pttt -62.61 -28.72 70.09 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.684 0.278 . . . . 0.0 111.522 -178.141 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -68.55 -56.5 8.11 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.167 176.956 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -56.18 -43.74 78.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.357 -179.747 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . 0.676 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 85.7 mt . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.53 -179.382 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . 0.54 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.456 -0.143 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 . . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -67.86 -18.64 64.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.17 0.51 . . . . 0.0 109.797 173.499 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.44 -58.62 11.62 Favored Glycine 0 N--CA 1.443 -0.9 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.41 177.175 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.495 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -66.38 -32.14 56.76 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.846 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.689 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' A' ' 395' ' ' GLN . 33.0 mmtp -58.63 -49.93 75.69 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.863 0.363 . . . . 0.0 111.02 179.717 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -66.2 -49.05 68.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.181 0.515 . . . . 0.0 110.355 178.784 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -64.67 -39.9 94.48 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.299 -176.916 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 402' ' ' ILE . . . . . 0.659 HG13 HD23 ' A' ' 436' ' ' LEU . 12.3 tt -66.83 -30.09 48.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 117.544 0.157 . . . . 0.0 110.811 -177.584 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.634 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 89.6 mtt180 -64.18 -46.95 81.7 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 177.142 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -68.77 -42.82 76.94 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.587 -1.188 . . . . 0.0 111.327 178.164 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 405' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -67.82 -46.05 72.94 Favored 'General case' 0 C--O 1.221 -0.398 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -177.436 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . 0.432 ' HA ' ' HB3' ' A' ' 409' ' ' LEU . 40.5 mt-10 -71.59 -20.55 61.98 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.211 177.236 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.634 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 9.1 t80 -67.83 -54.21 20.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.678 175.949 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . 0.671 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.3 pp -70.61 -30.63 67.35 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.364 177.563 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 409' ' ' LEU . . . . . 0.537 ' HG ' ' HB2' ' A' ' 429' ' ' LEU . 8.3 tt -57.71 -48.96 78.11 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 174.441 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -58.82 -42.27 88.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.03 176.222 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 31.2 m -62.28 -57.22 12.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.994 -179.662 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.671 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 3.9 pp -71.73 -15.73 62.2 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 111.035 -178.245 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . 0.466 ' HD2' HD11 ' A' ' 416' ' ' LEU . 15.7 t-160 -74.46 -37.14 63.3 Favored 'General case' 0 CA--C 1.516 -0.329 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 172.866 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 31.3 mtm180 -68.34 -22.54 64.68 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.494 177.163 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 415' ' ' ASP . . . . . 0.589 ' OD2' ' HA ' ' A' ' 412' ' ' LEU . 9.4 m-20 -64.5 -19.05 65.35 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.669 173.334 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.582 HD21 ' HB2' ' A' ' 425' ' ' LYS . 58.1 mt . . . . . 0 C--N 1.326 -0.441 0 CA-C-O 121.184 0.516 . . . . 0.0 110.921 -177.836 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 14.0 t70 . . . . . 0 CA--C 1.516 -0.34 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 68.8 mt -111.35 -18.84 12.82 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.213 179.327 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 424' ' ' SER . . . . . 0.522 ' O ' ' HG3' ' A' ' 428' ' ' ARG . 79.5 p -63.57 -45.12 91.91 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.011 -177.355 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . 0.582 ' HB2' HD21 ' A' ' 416' ' ' LEU . 35.3 mmtp -67.09 -30.18 70.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.125 0.488 . . . . 0.0 110.523 178.825 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 426' ' ' GLU . . . . . 0.616 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 37.1 tt0 -73.62 -40.66 63.64 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.038 -177.099 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -65.26 -27.15 68.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.285 0.564 . . . . 0.0 109.564 174.624 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 428' ' ' ARG . . . . . 0.522 ' HG3' ' O ' ' A' ' 424' ' ' SER . 93.1 mtt180 -73.33 -45.43 55.31 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.203 -179.763 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . 0.667 ' HB3' ' CD1' ' A' ' 412' ' ' LEU . 4.0 pp -64.52 -36.13 83.2 Favored 'General case' 0 CA--C 1.51 -0.583 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.098 -178.93 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -76.12 -27.7 57.18 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.066 179.288 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.522 ' O ' HG13 ' A' ' 435' ' ' ILE . 10.0 tp10 -64.98 -58.13 6.91 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.944 177.828 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 17.3 m -64.13 -30.69 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.723 179.701 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -66.22 -49.27 67.8 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 178.888 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 434' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -71.08 -22.06 62.15 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.057 -177.671 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 435' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 431' ' ' GLU . 79.7 mt -71.07 -57.99 6.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.215 173.361 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . 0.659 HD23 HG13 ' A' ' 402' ' ' ILE . 4.5 pp -60.73 -30.02 69.72 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.704 0.288 . . . . 0.0 110.698 -179.742 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 437' ' ' THR . . . . . 0.614 ' O ' ' HG2' ' A' ' 441' ' ' ARG . 90.7 m -69.01 -59.65 2.9 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.686 176.542 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.35 -38.03 82.53 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 120.852 0.358 . . . . 0.0 110.951 -177.444 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 44.8 tp -59.66 -58.52 8.23 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.088 -179.224 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 440' ' ' LYS . . . . . 0.495 ' HB3' HG13 ' A' ' 398' ' ' ILE . 16.2 pttp -62.45 -29.46 70.54 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.722 0.296 . . . . 0.0 111.635 -174.402 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 441' ' ' ARG . . . . . 0.614 ' HG2' ' O ' ' A' ' 437' ' ' THR . 9.8 mmm180 -76.11 -51.47 12.15 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.401 178.679 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -74.25 -7.56 53.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.999 0.428 . . . . 0.0 111.528 -178.541 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . 0.435 HD23 HE21 ' A' ' 395' ' ' GLN . 8.6 tt . . . . . 0 C--N 1.319 -0.735 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.187 177.985 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 . . . . . 0 C--O 1.235 0.338 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -70.0 -11.61 61.01 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.997 173.228 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.67 -61.14 6.49 Favored Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.264 176.162 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.465 ' HB ' HD23 ' A' ' 439' ' ' LEU . 0.0 OUTLIER -66.21 -30.02 48.57 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.669 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.234 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . 0.81 ' HA ' ' HE3' ' A' ' 399' ' ' LYS . 0.2 OUTLIER -55.26 -57.08 13.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.135 0.493 . . . . 0.0 110.757 176.731 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . 0.656 ' HG3' HH21 ' A' ' 403' ' ' ARG . 33.5 tt0 -72.09 -42.28 66.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.092 -179.287 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -65.53 -31.59 72.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.505 -179.172 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 402' ' ' ILE . . . . . 0.61 HG22 ' O ' ' A' ' 399' ' ' LYS . 11.1 tt -70.08 -34.33 58.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.424 -0.511 . . . . 0.0 110.081 178.399 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.656 HH21 ' HG3' ' A' ' 400' ' ' GLU . 53.3 mtm180 -59.11 -48.64 80.87 Favored 'General case' 0 CA--C 1.519 -0.212 0 C-N-CA 120.568 -0.453 . . . . 0.0 109.851 173.197 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -68.06 -46.67 70.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.153 -178.347 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 405' ' ' GLN . . . . . 0.616 ' O ' HD22 ' A' ' 408' ' ' LEU . 23.2 mt-30 -68.95 -46.22 68.74 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.849 -176.09 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -64.15 -27.53 69.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.995 0.426 . . . . 0.0 110.357 176.458 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.574 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 6.6 t80 -65.5 -57.72 7.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.323 -179.616 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . 0.616 HD22 ' O ' ' A' ' 405' ' ' GLN . 1.3 pt? -76.29 -25.75 55.2 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 119.851 -0.74 . . . . 0.0 110.253 -178.084 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 409' ' ' LEU . . . . . 0.688 HD13 HG21 ' A' ' 432' ' ' VAL . 6.5 tt -58.81 -51.02 71.77 Favored 'General case' 0 C--O 1.223 -0.309 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 174.401 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 410' ' ' ASN . . . . . 0.508 ' C ' HD21 ' A' ' 410' ' ' ASN . 0.1 OUTLIER -57.59 -40.84 79.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.639 176.874 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 39.3 m -63.75 -60.96 2.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.404 179.908 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 4.5 pp -67.34 -18.34 65.12 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 120.853 0.359 . . . . 0.0 111.316 -177.662 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -65.76 -38.64 89.62 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 172.446 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -79.81 -15.11 58.07 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.863 178.433 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -72.94 0.52 10.98 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.859 0.361 . . . . 0.0 110.393 171.208 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.609 HD22 ' HB2' ' A' ' 425' ' ' LYS . 90.2 mt . . . . . 0 C--N 1.322 -0.61 0 CA-C-O 120.978 0.418 . . . . 0.0 109.874 174.222 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . 0.504 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 10.2 t70 . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 . . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 86.3 mt -112.68 -18.79 12.26 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.112 0.482 . . . . 0.0 110.3 177.741 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 47.6 p -67.21 -38.76 85.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.197 -176.869 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . 0.609 ' HB2' HD22 ' A' ' 416' ' ' LEU . 1.8 mmpp? -65.24 -32.13 73.64 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 120.837 0.351 . . . . 0.0 110.221 -179.896 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 426' ' ' GLU . . . . . 0.566 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 35.7 tt0 -67.15 -46.69 73.28 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.815 -178.404 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -63.38 -30.17 71.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.282 175.363 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -75.88 -41.09 53.17 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.8 -177.401 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.5 pp -66.55 -32.8 74.37 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.136 178.287 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -78.66 -26.93 45.17 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 177.977 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.565 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 39.5 tt0 -66.54 -54.65 21.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.562 178.867 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.688 HG21 HD13 ' A' ' 409' ' ' LEU . 29.5 m -68.09 -29.82 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 CA-C-O 120.805 0.336 . . . . 0.0 110.847 179.306 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -67.59 -48.43 66.87 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.483 179.95 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 434' ' ' ARG . . . . . 0.565 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 16.5 ptm180 -64.14 -31.16 72.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.589 -178.223 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 435' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 431' ' ' GLU . 86.2 mt -69.04 -54.83 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.037 178.992 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . 0.552 ' HB3' ' NE2' ' A' ' 405' ' ' GLN . 4.4 pp -62.09 -33.07 73.76 Favored 'General case' 0 C--N 1.334 -0.096 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.837 -178.926 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 437' ' ' THR . . . . . 0.513 ' O ' ' HG2' ' A' ' 441' ' ' ARG . 54.1 m -71.04 -54.88 9.61 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.77 179.569 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -64.92 -34.38 78.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.903 -175.46 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 439' ' ' LEU . . . . . 0.465 HD23 ' HB ' ' A' ' 398' ' ' ILE . 50.9 tp -65.7 -54.9 21.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.635 -178.319 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 440' ' ' LYS . . . . . . . . . . . . . 58.2 pttt -61.53 -32.06 72.11 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 121.317 0.58 . . . . 0.0 110.663 -177.184 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 441' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' A' ' 437' ' ' THR . 37.3 mmt180 -68.54 -52.53 30.97 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.751 179.693 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.13 7.85 23.23 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -176.375 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 16.1 tp . . . . . 0 C--N 1.329 -0.283 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.269 178.246 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . 0.526 ' O ' ' HB2' ' A' ' 399' ' ' LYS . 14.1 mm100 . . . . . 0 CA--C 1.519 -0.225 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 . . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -70.1 -10.78 59.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.529 174.49 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -69.09 -69.23 1.43 Allowed Glycine 0 N--CA 1.442 -0.905 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.597 HD13 HD13 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -64.84 -28.33 44.56 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.096 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . 0.778 ' HE2' ' HA ' ' A' ' 399' ' ' LYS . 0.0 OUTLIER -58.61 -58.26 9.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.076 0.465 . . . . 0.0 110.914 178.833 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . 0.665 ' HG3' HH21 ' A' ' 403' ' ' ARG . 34.3 tt0 -71.73 -42.62 67.08 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.679 -177.658 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 401' ' ' GLU . . . . . 0.493 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 47.8 mt-10 -61.71 -42.65 99.23 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.6 179.085 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 402' ' ' ILE . . . . . 0.597 HD13 HD13 ' A' ' 398' ' ' ILE . 9.5 tt -64.59 -28.69 45.4 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.256 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.545 -177.805 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.665 HH21 ' HG3' ' A' ' 400' ' ' GLU . 81.8 mtm180 -57.53 -48.86 78.15 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 120.139 -0.624 . . . . 0.0 109.344 172.408 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -72.29 -39.92 67.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.245 178.52 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 405' ' ' GLN . . . . . 0.56 ' HB2' ' HA ' ' A' ' 402' ' ' ILE . 95.8 mt-30 -64.41 -50.16 68.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.3 -177.628 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . 0.427 ' HG2' HG12 ' A' ' 402' ' ' ILE . 6.8 mm-40 -66.71 -27.73 67.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.004 0.431 . . . . 0.0 109.98 177.234 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.594 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.5 t80 -66.15 -51.25 59.63 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.937 177.971 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . 0.775 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.9 pp -70.42 -33.97 71.97 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.346 178.243 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 409' ' ' LEU . . . . . 0.565 ' HA ' HD12 ' A' ' 412' ' ' LEU . 28.9 tp -57.39 -41.1 79.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.396 0.617 . . . . 0.0 109.772 175.216 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -57.57 -48.8 78.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.795 178.529 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 35.0 p -67.65 -42.94 81.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.658 -177.967 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.775 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 15.2 mt -55.44 -44.61 76.5 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-O 121.721 0.772 . . . . 0.0 109.83 175.6 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . 0.504 ' HD2' HD22 ' A' ' 429' ' ' LEU . 32.5 m170 -62.5 -45.04 94.83 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.477 -1.238 . . . . 0.0 111.72 178.268 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -79.14 -1.65 37.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.742 0.306 . . . . 0.0 111.306 -178.738 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -102.16 7.74 40.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.305 0.574 . . . . 0.0 109.706 177.957 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 412' ' ' LEU . 74.9 mt . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.807 175.479 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 9.3 t70 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.6 mp -82.93 -33.95 26.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.9 -175.079 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 424' ' ' SER . . . . . 0.476 ' O ' ' HB2' ' A' ' 428' ' ' ARG . 8.6 t -65.85 -44.96 83.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.838 -176.022 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 43.7 mttp -75.28 -29.09 60.01 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 121.151 -0.22 . . . . 0.0 110.489 179.535 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 426' ' ' GLU . . . . . 0.629 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 40.9 tt0 -63.46 -50.06 71.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.302 0.573 . . . . 0.0 110.48 178.91 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -72.3 -23.96 61.26 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.122 177.756 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 428' ' ' ARG . . . . . 0.476 ' HB2' ' O ' ' A' ' 424' ' ' SER . 47.5 ttt180 -74.02 -46.55 42.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.406 -178.273 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . 0.629 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.1 pp -60.09 -35.59 75.55 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.12 176.791 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -74.11 -32.64 63.29 Favored 'General case' 0 N--CA 1.445 -0.716 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.489 178.428 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.466 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 11.3 tp10 -62.21 -56.33 19.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.909 178.217 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.512 HG22 HD11 ' A' ' 408' ' ' LEU . 13.3 p -66.4 -33.0 60.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.918 -178.942 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . 0.465 ' HB2' ' O ' ' A' ' 429' ' ' LEU . 7.2 tt0 -63.67 -45.99 87.58 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 120.798 0.332 . . . . 0.0 110.297 -177.435 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 434' ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 32.0 ptt180 -67.91 -32.09 72.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.523 -178.515 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 435' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 431' ' ' GLU . 76.8 mt -69.1 -57.12 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 121.127 -0.229 . . . . 0.0 111.243 178.89 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . 0.445 HD13 ' N ' ' A' ' 437' ' ' THR . 4.4 pp -58.06 -34.68 70.38 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.672 0.272 . . . . 0.0 110.899 -178.719 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 437' ' ' THR . . . . . 0.536 ' O ' ' HG2' ' A' ' 441' ' ' ARG . 58.2 m -70.62 -57.35 4.82 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.623 177.981 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.11 -38.96 84.57 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.755 0.312 . . . . 0.0 111.248 -175.675 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 39.8 tp -65.5 -54.5 27.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.2 -176.961 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 440' ' ' LYS . . . . . 0.479 ' HB3' HG13 ' A' ' 398' ' ' ILE . 61.5 pttt -63.67 -29.92 71.09 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.923 0.392 . . . . 0.0 110.94 -175.448 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 441' ' ' ARG . . . . . 0.536 ' HG2' ' O ' ' A' ' 437' ' ' THR . 34.9 mmt180 -73.91 -48.97 27.06 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.852 -179.027 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -66.18 -27.23 67.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.817 178.396 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 21.6 tp . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.426 -177.735 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -68.71 -21.48 64.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.805 171.978 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.58 -55.33 23.52 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.936 177.981 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.517 HD13 HD11 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -67.69 -34.47 68.06 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.863 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 177.187 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . 0.513 ' O ' HG23 ' A' ' 402' ' ' ILE . 0.3 OUTLIER -61.03 -49.71 76.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.826 0.346 . . . . 0.0 111.703 -177.676 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -68.17 -46.92 69.39 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.309 0.576 . . . . 0.0 110.172 179.786 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 401' ' ' GLU . . . . . 0.517 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 5.7 mm-40 -65.58 -37.22 86.05 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.608 -0.723 . . . . 0.0 111.593 -178.981 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 402' ' ' ILE . . . . . 0.517 HD11 HD13 ' A' ' 398' ' ' ILE . 12.0 tt -68.17 -30.22 47.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -177.739 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.655 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 97.6 mtt180 -62.61 -43.28 99.19 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 173.928 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . 0.504 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 64.3 mtt85 -67.04 -49.24 65.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.918 175.23 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 405' ' ' GLN . . . . . 0.517 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 49.0 mt-30 -58.9 -58.88 6.67 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.004 -178.978 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -60.62 -27.04 67.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.752 0.31 . . . . 0.0 110.747 -179.645 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.655 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 6.6 t80 -63.51 -60.05 3.86 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.977 178.073 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . 0.625 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.2 pp -70.58 -29.21 65.58 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 -179.336 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 409' ' ' LEU . . . . . 0.548 ' HG ' ' HB2' ' A' ' 429' ' ' LEU . 7.9 tt -60.57 -47.23 87.09 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 176.391 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 410' ' ' ASN . . . . . 0.451 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 11.0 t30 -61.92 -42.49 99.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.229 177.472 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 22.2 m -59.86 -52.87 63.6 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.855 179.653 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.678 ' HB2' ' HB3' ' A' ' 425' ' ' LYS . 3.9 pp -75.59 -18.88 59.59 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.309 -0.557 . . . . 0.0 111.208 -178.751 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . 0.402 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 18.5 t-160 -67.14 -43.04 83.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.057 0.456 . . . . 0.0 109.862 175.202 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 414' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 410' ' ' ASN . 11.3 ptm180 -80.11 -13.66 59.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 177.811 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 415' ' ' ASP . . . . . 0.435 ' HB2' ' HA ' ' A' ' 412' ' ' LEU . 15.1 t70 -65.75 -23.59 66.76 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.549 0.69 . . . . 0.0 110.016 174.688 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.655 HD23 ' HB2' ' A' ' 425' ' ' LYS . 24.9 mt . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.999 -179.194 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . 0.458 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 11.1 t70 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 . . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -120.38 -7.17 9.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.142 0.496 . . . . 0.0 110.507 176.226 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 38.6 m -73.84 -40.42 63.32 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.178 -177.296 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . 0.678 ' HB3' ' HB2' ' A' ' 412' ' ' LEU . 28.1 mmtm -69.44 -30.43 68.35 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 178.957 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 426' ' ' GLU . . . . . 0.595 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 8.4 tp10 -65.33 -49.69 68.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.934 -177.686 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -69.84 -27.21 64.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.966 178.594 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 428' ' ' ARG . . . . . 0.48 ' O ' HG23 ' A' ' 432' ' ' VAL . 22.8 tpt180 -74.42 -45.44 46.51 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.219 -178.087 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . 0.621 ' HB3' ' CD1' ' A' ' 412' ' ' LEU . 4.3 pp -62.13 -35.84 79.97 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.347 -179.965 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -68.61 -33.42 74.01 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.163 179.487 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.505 ' HG3' ' HE ' ' A' ' 434' ' ' ARG . 35.9 tt0 -68.82 -43.95 74.51 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.088 175.277 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 428' ' ' ARG . 61.0 t -59.13 -47.46 90.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.289 0.566 . . . . 0.0 109.981 175.142 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -61.9 -43.9 97.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.651 -178.393 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 434' ' ' ARG . . . . . 0.505 ' HE ' ' HG3' ' A' ' 431' ' ' GLU . 36.3 ptt180 -68.06 -25.08 65.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.646 -176.887 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 435' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 431' ' ' GLU . 74.1 mt -76.06 -56.69 7.73 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-N 116.822 -0.172 . . . . 0.0 110.868 177.853 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . 0.418 HD13 ' N ' ' A' ' 437' ' ' THR . 3.8 pp -60.73 -32.49 71.76 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.505 0.193 . . . . 0.0 111.24 -178.434 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 437' ' ' THR . . . . . 0.666 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 79.0 m -69.54 -54.38 14.4 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.75 177.296 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . 0.525 ' O ' ' HD2' ' A' ' 442' ' ' LYS . . . -63.05 -38.97 93.3 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.763 -0.199 . . . . 0.0 110.766 -177.54 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 439' ' ' LEU . . . . . 0.492 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 36.1 tp -59.84 -54.69 43.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.134 -177.207 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 440' ' ' LYS . . . . . 0.666 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 62.5 pttt -62.85 -33.58 75.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.811 0.338 . . . . 0.0 111.243 -177.266 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -72.9 -50.23 24.96 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.681 -179.801 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 442' ' ' LYS . . . . . 0.525 ' HD2' ' O ' ' A' ' 438' ' ' ALA . 0.7 OUTLIER -67.99 -20.21 65.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.775 -177.097 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 77.8 mt . . . . . 0 C--N 1.325 -0.466 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.559 179.745 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 121.108 0.48 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -69.07 -15.29 63.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.343 174.46 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.62 -56.37 19.73 Favored Glycine 0 N--CA 1.447 -0.595 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.409 178.162 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.504 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -69.7 -29.22 40.29 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.859 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 177.066 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . 0.438 ' O ' HG22 ' A' ' 402' ' ' ILE . 0.6 OUTLIER -57.95 -53.21 60.86 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.693 -178.905 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . 0.508 ' HA ' ' HD3' ' A' ' 403' ' ' ARG . 0.4 OUTLIER -71.71 -39.36 70.21 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 177.453 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 401' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 18.9 mm-40 -59.1 -47.93 83.47 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.61 178.713 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 402' ' ' ILE . . . . . 0.438 HG22 ' O ' ' A' ' 399' ' ' LYS . 12.5 tt -65.38 -29.56 47.55 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.469 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -177.424 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.565 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 26.8 mtp85 -58.99 -44.94 91.71 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.112 172.542 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' A' ' 400' ' ' GLU . 9.8 mmm180 -75.07 -42.62 56.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.111 0.481 . . . . 0.0 110.298 179.786 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 405' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 74.4 mt-30 -67.39 -47.73 69.48 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.499 -177.349 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -63.85 -30.9 71.94 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 176.261 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.565 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 1.4 t80 -57.99 -56.65 19.27 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.88 177.84 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . 0.499 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.5 pp -74.51 -30.76 61.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.355 -179.671 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 409' ' ' LEU . . . . . 0.494 ' N ' HD11 ' A' ' 408' ' ' LEU . 6.6 tt -60.53 -47.85 84.34 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 177.876 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -60.53 -40.95 93.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.216 177.974 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 411' ' ' SER . . . . . 0.424 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 23.0 t -63.16 -57.41 10.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.77 179.227 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.601 ' HA ' ' OD1' ' A' ' 415' ' ' ASP . 4.5 pp -67.66 -17.09 64.47 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 122.017 -0.427 . . . . 0.0 111.379 -178.834 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -71.78 -37.67 70.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.657 0.265 . . . . 0.0 110.599 174.01 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 414' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 411' ' ' SER . 12.3 ptm180 -85.26 -1.88 57.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.805 0.336 . . . . 0.0 111.208 179.392 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 415' ' ' ASP . . . . . 0.601 ' OD1' ' HA ' ' A' ' 412' ' ' LEU . 1.1 m-20 -61.47 -28.01 68.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.403 165.347 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 3.5 mp . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.949 -178.661 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . 0.633 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 10.3 t70 . . . . . 0 N--CA 1.454 -0.231 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 93.6 mt -94.2 -19.72 20.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.025 0.441 . . . . 0.0 111.105 -176.439 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 68.4 m -72.56 -32.25 65.91 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -176.01 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . 0.633 ' HG2' ' OD1' ' A' ' 422' ' ' ASP . 52.1 mmtt -59.68 -36.88 77.36 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.113 0.482 . . . . 0.0 110.416 178.328 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 426' ' ' GLU . . . . . 0.548 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 40.7 tt0 -77.66 -42.43 34.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.078 -175.238 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -62.61 -32.46 73.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.411 0.624 . . . . 0.0 109.701 174.672 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 428' ' ' ARG . . . . . 0.543 ' O ' HG22 ' A' ' 432' ' ' VAL . 23.9 ttm180 -75.6 -45.06 39.72 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.802 -177.561 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.6 pp -60.63 -33.43 72.76 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.52 179.258 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 430' ' ' TRP . . . . . 0.445 ' N ' HD13 ' A' ' 429' ' ' LEU . 2.2 t90 -75.27 -33.08 61.23 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.326 178.52 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -59.01 -51.76 68.7 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 174.553 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 428' ' ' ARG . 32.6 t -58.69 -48.95 84.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.556 178.212 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -62.07 -44.25 97.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.242 -175.818 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 434' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -70.36 -24.66 63.01 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.788 -175.757 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 435' ' ' ILE . . . . . . . . . . . . . 74.8 mt -78.09 -56.21 8.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.625 -0.262 . . . . 0.0 110.683 178.029 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . 0.505 HD22 HG11 ' A' ' 432' ' ' VAL . 4.5 pp -61.47 -29.99 70.32 Favored 'General case' 0 N--CA 1.461 0.112 0 CA-C-O 120.834 0.349 . . . . 0.0 110.965 -179.241 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 437' ' ' THR . . . . . 0.9 ' HA ' ' HZ2' ' A' ' 440' ' ' LYS . 96.7 m -71.28 -58.42 3.55 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.645 177.369 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -58.89 -32.03 69.14 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.931 0.396 . . . . 0.0 110.981 -176.825 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 439' ' ' LEU . . . . . 0.45 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 26.1 tp -66.69 -60.72 2.44 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.605 -179.756 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 440' ' ' LYS . . . . . 0.9 ' HZ2' ' HA ' ' A' ' 437' ' ' THR . 26.3 pttm -64.82 -28.34 69.49 Favored 'General case' 0 CA--C 1.517 -0.293 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.432 -175.712 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 441' ' ' ARG . . . . . 0.471 ' HG2' ' O ' ' A' ' 437' ' ' THR . 38.4 mmt180 -62.96 -60.14 3.87 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.263 178.083 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 442' ' ' LYS . . . . . 0.406 ' HD2' ' N ' ' A' ' 442' ' ' LYS . 3.2 mptp? -80.17 0.1 33.74 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -174.89 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 58.7 mt . . . . . 0 C--N 1.325 -0.46 0 CA-C-O 120.666 0.27 . . . . 0.0 110.715 172.801 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . 0.671 HE21 HD11 ' A' ' 443' ' ' LEU . 18.6 mm-40 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 . . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -70.75 -18.73 62.77 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.461 176.316 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.89 -57.75 14.72 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 111.409 -0.677 . . . . 0.0 111.409 179.246 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.54 HD13 HD13 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -70.44 -34.16 56.73 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.651 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 177.019 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . 0.831 ' HE2' ' HA ' ' A' ' 399' ' ' LYS . 0.4 OUTLIER -54.57 -48.46 72.05 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.785 0.326 . . . . 0.0 111.594 -179.294 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . 0.428 ' OE1' ' HD2' ' A' ' 403' ' ' ARG . 4.7 tp10 -73.46 -47.58 40.41 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-O 121.235 0.541 . . . . 0.0 110.16 -177.74 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -60.2 -43.47 95.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.094 179.798 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 402' ' ' ILE . . . . . 0.54 HD13 HD13 ' A' ' 398' ' ' ILE . 13.2 tt -65.74 -29.39 46.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 O-C-N 123.114 0.258 . . . . 0.0 110.475 -176.964 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.584 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 62.4 mtt180 -57.74 -51.77 68.21 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 172.686 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . 0.406 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 3.3 mmp_? -68.34 -44.19 75.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.062 178.995 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 405' ' ' GLN . . . . . 0.472 ' OE1' ' HB3' ' A' ' 436' ' ' LEU . 98.7 mt-30 -61.36 -51.5 68.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.702 -177.694 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . 0.424 ' HG3' HG12 ' A' ' 402' ' ' ILE . 48.2 mt-10 -69.73 -23.03 63.34 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.693 179.617 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.584 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.8 t80 -68.56 -50.25 53.27 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 176.741 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . 0.719 HD12 HG12 ' A' ' 432' ' ' VAL . 3.5 pp -73.43 -27.68 61.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.593 177.617 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 409' ' ' LEU . . . . . 0.417 ' HA ' ' HG ' ' A' ' 412' ' ' LEU . 8.0 tt -64.98 -42.69 94.31 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 174.328 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 410' ' ' ASN . . . . . 0.515 ' O ' ' HG3' ' A' ' 414' ' ' ARG . 2.3 t-20 -60.74 -47.86 84.38 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.198 172.714 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 23.0 t -56.8 -54.64 44.1 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.689 179.322 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.843 HD12 ' HB3' ' A' ' 429' ' ' LEU . 4.5 pp -65.95 -24.37 66.79 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 120.765 0.317 . . . . 0.0 111.402 -178.468 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . 0.415 ' N ' HD11 ' A' ' 412' ' ' LEU . 1.9 m170 -68.04 -36.33 79.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.778 0.323 . . . . 0.0 110.65 173.412 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 414' ' ' ARG . . . . . 0.515 ' HG3' ' O ' ' A' ' 410' ' ' ASN . 67.8 mtt180 -68.97 -23.87 64.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.99 176.88 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -76.88 -26.06 53.78 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.476 175.969 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.481 HD23 ' HB2' ' A' ' 425' ' ' LYS . 58.3 mt . . . . . 0 C--N 1.322 -0.604 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -175.724 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . 0.656 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 9.8 t70 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 . . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 70.1 mt -105.2 -18.23 14.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.945 0.402 . . . . 0.0 110.706 -176.955 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 44.4 t -67.41 -46.27 73.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.347 -177.326 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . 0.656 ' HD3' ' OD1' ' A' ' 422' ' ' ASP . 11.3 mptt -64.21 -27.03 68.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.675 -179.821 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 426' ' ' GLU . . . . . 0.555 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 34.4 tt0 -69.29 -51.42 37.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.018 0.437 . . . . 0.0 110.507 -177.506 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -68.17 -23.02 64.81 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.387 178.429 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -74.83 -48.27 26.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.122 178.43 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . 0.843 ' HB3' HD12 ' A' ' 412' ' ' LEU . 4.5 pp -63.48 -31.67 72.9 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.175 -179.551 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -76.47 -29.81 57.04 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.404 -179.962 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.474 ' O ' HG13 ' A' ' 435' ' ' ILE . 9.4 tp10 -66.03 -58.05 6.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.06 0.457 . . . . 0.0 109.772 178.559 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.719 HG12 HD12 ' A' ' 408' ' ' LEU . 28.3 m -63.8 -29.6 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.947 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . 0.425 ' HB2' ' O ' ' A' ' 429' ' ' LEU . 8.4 tt0 -65.24 -52.73 52.68 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.473 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 434' ' ' ARG . . . . . . . . . . . . . 40.4 ptt180 -67.71 -23.18 65.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.962 -176.074 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 435' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 431' ' ' GLU . 81.7 mt -76.01 -56.49 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.714 -0.221 . . . . 0.0 110.476 176.022 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . 0.472 ' HB3' ' OE1' ' A' ' 405' ' ' GLN . 4.5 pp -61.15 -35.21 76.47 Favored 'General case' 0 N--CA 1.457 -0.093 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.323 -179.023 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 88.3 m -66.68 -60.98 2.22 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.559 177.39 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -58.27 -42.21 86.01 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.224 -174.591 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 439' ' ' LEU . . . . . 0.62 ' O ' ' HB2' ' A' ' 443' ' ' LEU . 45.4 tp -63.24 -57.96 8.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.255 -176.609 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 440' ' ' LYS . . . . . 0.484 ' HB3' HG13 ' A' ' 398' ' ' ILE . 17.1 pttp -67.03 -28.44 68.23 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.699 0.285 . . . . 0.0 111.699 -173.575 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 27.7 mmm180 -71.57 -48.62 47.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.591 -179.822 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -74.26 -13.51 60.78 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.952 0.405 . . . . 0.0 110.983 178.332 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . 0.671 HD11 HE21 ' A' ' 395' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.789 -177.516 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . 0.658 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 24.5 mm-40 . . . . . 0 C--O 1.233 0.225 0 CA-C-O 120.978 0.418 . . . . 0.0 109.9 . . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -66.45 -16.01 63.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.377 176.181 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.73 -56.8 12.94 Favored Glycine 0 N--CA 1.448 -0.567 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.744 178.1 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -25.61 36.42 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.759 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.299 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . 0.658 ' HG2' ' O ' ' A' ' 395' ' ' GLN . 31.9 mmtp -59.83 -50.21 74.68 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.598 176.7 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . 0.413 ' O ' ' HG2' ' A' ' 404' ' ' ARG . 9.3 tt0 -65.85 -49.46 68.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.065 0.46 . . . . 0.0 109.811 176.27 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -60.21 -43.18 96.2 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.715 -175.857 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 402' ' ' ILE . . . . . 0.634 HG13 HD22 ' A' ' 436' ' ' LEU . 11.6 tt -67.43 -34.15 66.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 120.996 -0.282 . . . . 0.0 110.596 -177.804 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.601 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 98.4 mtt180 -63.11 -39.96 96.22 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.2 178.001 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 400' ' ' GLU . 13.6 ptm180 -86.21 -26.12 25.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.719 -178.66 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 405' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -76.16 -47.08 25.58 Favored 'General case' 0 C--O 1.223 -0.335 0 O-C-N 122.315 -0.241 . . . . 0.0 110.473 174.568 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -64.84 -24.72 67.63 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 174.597 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.601 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.2 t80 -60.81 -58.36 8.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.551 175.56 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . 0.475 HD13 ' N ' ' A' ' 409' ' ' LEU . 2.4 pp -72.16 -28.21 63.08 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.083 -179.822 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 409' ' ' LEU . . . . . 0.593 ' O ' ' HB2' ' A' ' 413' ' ' HIS . 7.7 tt -62.63 -44.74 95.52 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 175.85 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.74 -48.52 80.91 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.686 174.103 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 22.5 m -59.57 -50.96 71.88 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.061 -178.596 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.888 HD11 ' HB3' ' A' ' 429' ' ' LEU . 4.4 pp -66.32 -32.2 73.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.983 0.42 . . . . 0.0 110.423 179.046 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . 0.593 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 3.3 t-160 -65.27 -38.13 89.34 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.443 179.172 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 32.4 mmt-85 -81.96 -11.72 58.72 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.824 179.272 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -77.09 -15.99 59.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.509 175.47 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.843 HD22 ' HB2' ' A' ' 425' ' ' LYS . 37.8 mt . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.245 179.318 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . 0.577 ' OD2' ' HG2' ' A' ' 425' ' ' LYS . 34.8 t70 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 121.241 0.543 . . . . 0.0 110.034 . . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 9.0 mp -78.95 -13.2 59.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.542 -178.676 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 2.1 m -57.84 -51.01 71.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.646 -179.631 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . 0.843 ' HB2' HD22 ' A' ' 416' ' ' LEU . 33.1 mmtm -63.96 -26.99 68.83 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-O 120.761 0.315 . . . . 0.0 111.081 -178.471 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 426' ' ' GLU . . . . . 0.616 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 38.7 tt0 -70.92 -46.12 63.05 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.076 0.465 . . . . 0.0 110.464 -175.31 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -64.15 -33.2 75.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.292 0.567 . . . . 0.0 109.793 175.448 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 428' ' ' ARG . . . . . 0.522 ' O ' HG23 ' A' ' 432' ' ' VAL . 35.4 mmt180 -74.07 -42.64 59.87 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.055 -177.27 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . 0.888 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.2 pp -61.19 -35.68 77.82 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.73 179.863 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -78.56 -27.73 45.85 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 119.935 -0.706 . . . . 0.0 110.424 178.836 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.525 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 44.1 tt0 -65.43 -58.18 6.48 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.363 -179.893 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 428' ' ' ARG . 3.2 m -63.55 -33.71 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.08 178.732 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -61.79 -50.36 72.65 Favored 'General case' 0 CA--C 1.516 -0.34 0 O-C-N 123.423 0.452 . . . . 0.0 110.039 179.804 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 434' ' ' ARG . . . . . 0.525 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 14.7 ptm180 -67.31 -32.39 73.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.561 -176.308 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 435' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 431' ' ' GLU . 79.2 mt -69.67 -57.62 7.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.262 179.97 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . 0.634 HD22 HG13 ' A' ' 402' ' ' ILE . 4.6 pp -60.47 -28.46 68.35 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.761 0.315 . . . . 0.0 110.946 179.762 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 437' ' ' THR . . . . . 0.949 ' HA ' ' HZ2' ' A' ' 440' ' ' LYS . 93.1 m -70.66 -58.22 3.88 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.75 -0.205 . . . . 0.0 110.912 176.452 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -58.4 -38.31 77.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.685 0.279 . . . . 0.0 110.814 -177.515 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 35.4 tp -63.23 -62.5 1.65 Allowed 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.118 -177.704 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 440' ' ' LYS . . . . . 0.949 ' HZ2' ' HA ' ' A' ' 437' ' ' THR . 26.1 pttm -61.85 -32.89 73.27 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.855 0.36 . . . . 0.0 111.916 -173.232 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -72.14 -53.44 12.72 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.716 -179.337 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -70.96 -28.09 64.21 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.21 -0.196 . . . . 0.0 111.523 -178.48 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 26.4 tp . . . . . 0 C--N 1.324 -0.527 0 CA-C-O 120.601 0.239 . . . . 0.0 110.777 179.909 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . 0.417 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.236 0.388 0 CA-C-O 121.46 0.647 . . . . 0.0 109.615 . . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -67.65 -12.24 60.0 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.594 177.927 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.47 -58.94 8.99 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 111.426 -0.67 . . . . 0.0 111.426 178.107 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.508 ' CD1' ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -64.64 -35.26 74.31 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.631 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.897 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . 0.616 ' O ' ' HG3' ' A' ' 403' ' ' ARG . 34.1 mmtp -55.32 -55.03 36.15 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 120.759 0.314 . . . . 0.0 110.722 178.431 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -61.2 -54.14 47.99 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 121.301 0.572 . . . . 0.0 110.658 178.164 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 401' ' ' GLU . . . . . 0.524 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 44.3 mt-10 -58.89 -48.14 82.48 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.451 -176.586 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 402' ' ' ILE . . . . . 0.446 HD13 HD12 ' A' ' 398' ' ' ILE . 11.9 tt -64.92 -34.21 68.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 111.562 0.208 . . . . 0.0 111.562 -172.087 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.616 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 70.6 mtp180 -63.05 -40.97 99.3 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.98 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . 0.42 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 79.3 mtt180 -72.29 -40.99 67.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.538 176.582 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 405' ' ' GLN . . . . . 0.524 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 92.9 mt-30 -61.97 -55.86 25.05 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.204 179.166 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . 0.441 ' HA ' ' HB3' ' A' ' 409' ' ' LEU . 45.5 mt-10 -65.33 -23.89 67.12 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.795 -178.253 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.529 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.0 t80 -62.75 -55.07 29.97 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 174.304 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . 0.431 HD12 ' N ' ' A' ' 409' ' ' LEU . 2.9 pp -74.58 -24.99 58.99 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.129 179.13 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 409' ' ' LEU . . . . . 0.441 ' HB3' ' HA ' ' A' ' 406' ' ' GLU . 29.2 tp -61.03 -50.15 74.52 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 174.728 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -57.11 -41.11 78.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.025 174.558 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 22.2 t -63.71 -51.67 63.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.163 -178.345 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.576 ' CD1' ' HB3' ' A' ' 429' ' ' LEU . 4.4 pp -69.1 -19.8 64.06 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -178.148 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -68.4 -37.44 80.37 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.098 0.475 . . . . 0.0 110.193 171.776 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -73.27 -20.51 60.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.383 175.011 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 415' ' ' ASP . . . . . 0.595 ' OD2' ' HE3' ' A' ' 425' ' ' LYS . 16.1 t70 -90.21 12.8 16.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.565 0.698 . . . . 0.0 109.741 179.202 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.563 ' CD2' ' HB2' ' A' ' 425' ' ' LYS . 87.3 mt . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.028 174.361 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 . . . . . 0 N--CA 1.455 -0.217 0 CA-C-O 121.343 0.592 . . . . 0.0 111.414 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 5.5 mp -136.74 -65.53 0.55 Allowed 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.687 0.756 . . . . 0.0 109.579 175.13 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 13.7 m -62.53 -36.88 83.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.739 -1.118 . . . . 0.0 111.66 -174.25 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . 0.595 ' HE3' ' OD2' ' A' ' 415' ' ' ASP . 63.9 mmtt -63.3 -34.18 77.12 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.657 0.265 . . . . 0.0 111.129 -175.013 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 426' ' ' GLU . . . . . 0.624 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 39.4 tt0 -74.45 -45.4 46.56 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -178.432 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -65.0 -30.36 71.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.25 0.547 . . . . 0.0 110.165 176.354 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 428' ' ' ARG . . . . . 0.505 ' O ' HG21 ' A' ' 432' ' ' VAL . 14.4 tpt180 -71.61 -45.05 63.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.353 -179.952 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . 0.624 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 3.8 pp -64.33 -35.14 79.9 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.986 -176.017 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -73.23 -32.9 65.03 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 121.318 0.58 . . . . 0.0 109.544 179.246 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.529 ' O ' HG13 ' A' ' 435' ' ' ILE . 42.0 tt0 -65.59 -50.1 66.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.622 174.61 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.505 HG21 ' O ' ' A' ' 428' ' ' ARG . 94.7 t -58.16 -46.07 88.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.385 176.979 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -62.06 -44.96 95.55 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.825 -177.311 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 434' ' ' ARG . . . . . 0.457 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 12.8 ptm180 -69.38 -24.61 63.89 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.734 -176.957 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 435' ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' ' 431' ' ' GLU . 84.5 mt -76.82 -57.05 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 121.083 -0.247 . . . . 0.0 110.605 176.456 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . 0.513 ' HB3' ' OE1' ' A' ' 405' ' ' GLN . 4.4 pp -58.19 -35.86 72.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.148 -177.24 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 437' ' ' THR . . . . . 0.444 ' O ' ' HG2' ' A' ' 441' ' ' ARG . 32.2 m -71.14 -53.41 14.64 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.632 179.044 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -64.21 -34.99 79.37 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.737 0.304 . . . . 0.0 111.111 -176.691 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 439' ' ' LEU . . . . . 0.533 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 27.4 tp -64.91 -56.16 14.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.557 -177.044 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 440' ' ' LYS . . . . . 0.508 ' HB3' ' CD1' ' A' ' 398' ' ' ILE . 58.0 pttt -63.26 -31.77 73.01 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.51 -178.154 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 441' ' ' ARG . . . . . 0.444 ' HG2' ' O ' ' A' ' 437' ' ' THR . 23.4 mmt180 -70.52 -39.61 73.96 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.942 0.401 . . . . 0.0 110.693 179.208 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -81.64 -6.19 58.77 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.238 179.345 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 86.9 mt . . . . . 0 C--N 1.33 -0.24 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 179.324 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . 0.715 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 27.6 mm-40 . . . . . 0 CA--C 1.518 -0.284 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 . . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -54.83 -29.31 54.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.829 172.619 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.15 -58.31 12.23 Favored Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.232 -179.995 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.464 HD12 HD13 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -66.25 -31.53 54.02 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.685 0 N-CA-C 110.484 -0.191 . . . . 0.0 110.484 -177.945 . . . . . . . . 3 3 . 1 . 041 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . 0.715 ' HG2' ' O ' ' A' ' 395' ' ' GLN . 30.6 mmtp -62.36 -42.51 99.46 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.904 -179.456 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -74.0 -45.43 49.98 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.285 0.564 . . . . 0.0 109.736 178.114 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 401' ' ' GLU . . . . . 0.423 ' HB3' HE21 ' A' ' 405' ' ' GLN . 5.8 mm-40 -57.51 -43.66 84.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.018 178.098 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 402' ' ' ILE . . . . . 0.585 HG13 HD23 ' A' ' 436' ' ' LEU . 12.7 tt -69.2 -35.19 66.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.078 -174.245 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.524 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 73.6 mtt180 -60.16 -44.47 94.97 Favored 'General case' 0 CA--C 1.521 -0.168 0 C-N-CA 120.069 -0.652 . . . . 0.0 110.055 175.843 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 61.5 mtm-85 -72.51 -40.76 66.59 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.067 178.633 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 405' ' ' GLN . . . . . 0.423 HE21 ' HB3' ' A' ' 401' ' ' GLU . 45.3 mt-30 -72.92 -32.22 65.16 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -176.9 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . 0.622 ' HA ' ' HB3' ' A' ' 409' ' ' LEU . 46.4 mt-10 -83.69 -15.7 47.76 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.279 -0.569 . . . . 0.0 110.267 175.566 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.524 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 6.3 t80 -68.46 -56.45 8.38 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 173.962 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . 0.662 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.2 pp -67.64 -27.92 67.28 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.347 176.192 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 409' ' ' LEU . . . . . 0.622 ' HB3' ' HA ' ' A' ' 406' ' ' GLU . 15.0 tp -55.69 -48.42 75.13 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.026 -0.533 . . . . 0.0 109.936 174.976 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -58.84 -42.77 90.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.085 179.532 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 411' ' ' SER . . . . . 0.414 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 12.1 m -57.26 -57.11 14.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.107 177.42 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 8.0 mt -55.24 -46.29 76.02 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-O 122.001 0.905 . . . . 0.0 110.258 178.126 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -57.76 -49.38 76.76 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 113.82 -1.536 . . . . 0.0 111.195 -177.531 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 414' ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' A' ' 411' ' ' SER . 14.6 ptt180 -75.85 -18.57 59.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.223 -178.014 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -72.94 -10.17 59.51 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.739 -0.209 . . . . 0.0 110.998 177.313 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.537 HD23 ' HB2' ' A' ' 425' ' ' LYS . 82.5 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-O 120.851 0.358 . . . . 0.0 111.172 179.487 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . 0.485 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 10.5 t70 . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 . . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.7 mp -105.38 -28.95 10.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.885 0.374 . . . . 0.0 110.608 -179.394 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 424' ' ' SER . . . . . 0.47 ' HA ' ' HG2' ' A' ' 427' ' ' GLU . 73.8 m -73.69 -31.67 63.54 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.908 -174.127 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . 0.537 ' HB2' HD23 ' A' ' 416' ' ' LEU . 47.2 mmtm -65.94 -32.89 74.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.032 0.444 . . . . 0.0 109.981 175.266 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 426' ' ' GLU . . . . . 0.505 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 37.1 tt0 -73.59 -46.01 49.77 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.46 -175.699 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . 0.47 ' HG2' ' HA ' ' A' ' 424' ' ' SER . 17.2 pt-20 -69.5 -23.81 63.67 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.029 178.646 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -78.54 -50.4 11.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.478 -179.457 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . 0.61 ' HB2' HD13 ' A' ' 409' ' ' LEU . 4.1 pp -57.66 -37.26 73.08 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.017 177.931 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -75.65 -30.18 59.38 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.671 -179.653 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.427 ' O ' HG13 ' A' ' 435' ' ' ILE . 45.1 tt0 -61.35 -55.94 25.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.143 178.302 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.442 HG13 HD11 ' A' ' 408' ' ' LEU . 17.9 m -66.36 -32.77 59.55 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.797 -179.323 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -65.56 -48.5 72.18 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 120.858 0.361 . . . . 0.0 110.249 -178.882 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 434' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -66.72 -28.44 68.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.658 -177.635 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 435' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 431' ' ' GLU . 81.3 mt -75.44 -53.9 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.384 177.989 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . 0.585 HD23 HG13 ' A' ' 402' ' ' ILE . 4.5 pp -61.7 -31.33 71.46 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.627 -178.432 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 437' ' ' THR . . . . . 0.664 ' O ' ' HG2' ' A' ' 441' ' ' ARG . 56.9 m -69.67 -60.06 2.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.711 177.212 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -57.58 -37.73 73.68 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-O 120.656 0.265 . . . . 0.0 111.322 -177.472 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 439' ' ' LEU . . . . . 0.4 HD23 ' HB ' ' A' ' 398' ' ' ILE . 37.3 tp -60.89 -58.62 7.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -178.1 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 440' ' ' LYS . . . . . 0.427 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 58.6 pttt -60.7 -34.56 74.56 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.889 0.376 . . . . 0.0 111.032 -176.487 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 441' ' ' ARG . . . . . 0.664 ' HG2' ' O ' ' A' ' 437' ' ' THR . 13.7 mmm180 -68.79 -50.66 48.46 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.856 -176.965 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -70.07 -19.66 63.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.679 0.276 . . . . 0.0 111.259 179.516 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 C--N 1.324 -0.536 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -178.746 . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 . . . . . 0 CA--C 1.514 -0.428 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -67.52 -20.24 65.41 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.481 172.028 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.38 -59.28 8.53 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.473 177.717 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.517 ' HB ' HD23 ' A' ' 439' ' ' LEU . 10.2 tp -69.74 -21.22 24.15 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.687 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 178.259 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . 0.762 ' HA ' ' HE3' ' A' ' 399' ' ' LYS . 0.1 OUTLIER -57.23 -63.53 1.19 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.02 0.438 . . . . 0.0 110.27 175.052 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -66.76 -41.3 87.97 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.602 -179.729 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 401' ' ' GLU . . . . . 0.543 ' HB3' HE21 ' A' ' 405' ' ' GLN . 27.4 mt-10 -60.66 -47.9 84.18 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.279 179.486 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 402' ' ' ILE . . . . . 0.434 ' HA ' ' HB2' ' A' ' 405' ' ' GLN . 9.1 tt -64.91 -29.21 46.73 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.37 0 C-N-CA 121.095 -0.242 . . . . 0.0 110.861 -175.003 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.503 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 97.2 mtt180 -59.17 -48.25 82.31 Favored 'General case' 0 CA--C 1.522 -0.115 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 173.037 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . 0.477 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 79.4 mtp180 -70.26 -44.27 68.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.077 178.499 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 405' ' ' GLN . . . . . 0.543 HE21 ' HB3' ' A' ' 401' ' ' GLU . 76.1 mt-30 -60.68 -52.92 63.06 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.505 -179.319 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -61.55 -32.37 72.45 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 118.056 0.389 . . . . 0.0 110.321 178.059 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.503 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.4 t80 -61.53 -56.36 20.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.813 -179.396 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . 0.637 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.0 pp -72.83 -29.11 62.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.77 178.884 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 409' ' ' LEU . . . . . 0.522 ' N ' HD11 ' A' ' 408' ' ' LEU . 34.0 tp -58.02 -51.62 68.9 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.223 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -62.82 -37.66 87.64 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.965 178.715 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 411' ' ' SER . . . . . 0.587 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 50.1 m -61.68 -52.88 62.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.311 -179.46 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.691 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 3.4 pp -79.63 -14.73 58.6 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.156 -0.618 . . . . 0.0 111.355 -178.998 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . 0.482 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 15.9 t-160 -73.48 -34.29 65.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.78 0.324 . . . . 0.0 110.366 174.519 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 414' ' ' ARG . . . . . 0.587 ' HG2' ' O ' ' A' ' 411' ' ' SER . 31.7 ptt180 -82.0 -20.42 38.49 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 176.259 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -81.1 26.7 0.43 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.488 179.269 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.579 HD23 ' HB3' ' A' ' 425' ' ' LYS . 88.1 mt . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.6 175.355 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 9.8 t70 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 . . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 91.4 mt -106.99 -41.15 5.26 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.901 0.381 . . . . 0.0 111.266 -177.482 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 424' ' ' SER . . . . . 0.441 ' HA ' ' OE2' ' A' ' 427' ' ' GLU . 74.5 m -69.32 -24.7 63.96 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.518 -177.143 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . 0.691 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 0.1 OUTLIER -59.56 -32.62 70.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.463 0.649 . . . . 0.0 109.475 174.075 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 426' ' ' GLU . . . . . 0.6 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 44.6 tt0 -81.63 -35.31 30.18 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.966 -1.016 . . . . 0.0 109.85 -177.679 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . 0.441 ' OE2' ' HA ' ' A' ' 424' ' ' SER . 32.1 mt-10 -63.0 -30.4 71.57 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.748 0.785 . . . . 0.0 109.031 173.316 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 428' ' ' ARG . . . . . 0.433 ' O ' HG21 ' A' ' 432' ' ' VAL . 80.6 mtt180 -80.81 -40.78 24.41 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.704 -177.01 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.6 pp -60.82 -31.87 71.26 Favored 'General case' 0 CA--C 1.52 -0.191 0 C-N-CA 120.405 -0.518 . . . . 0.0 109.972 174.936 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 430' ' ' TRP . . . . . 0.441 ' N ' HD12 ' A' ' 429' ' ' LEU . 3.3 t90 -73.67 -35.76 65.26 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.169 178.79 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -59.99 -49.6 77.05 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.57 175.549 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.433 HG21 ' O ' ' A' ' 428' ' ' ARG . 63.7 t -58.37 -48.68 84.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.74 176.948 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -61.99 -44.68 96.22 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.856 -174.373 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 434' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -70.65 -30.07 66.6 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.033 -175.476 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 435' ' ' ILE . . . . . . . . . . . . . 77.2 mt -70.47 -53.27 23.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.02 177.961 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . 0.458 HD13 ' N ' ' A' ' 437' ' ' THR . 4.4 pp -62.4 -33.02 73.96 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.709 0.29 . . . . 0.0 110.766 179.888 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 437' ' ' THR . . . . . 0.458 ' N ' HD13 ' A' ' 436' ' ' LEU . 100.0 m -65.87 -59.23 4.07 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.665 176.293 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -56.59 -37.96 71.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.746 0.307 . . . . 0.0 111.784 -176.463 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 439' ' ' LEU . . . . . 0.517 HD23 ' HB ' ' A' ' 398' ' ' ILE . 24.8 tp -73.19 -56.31 5.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.463 -175.547 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 440' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 436' ' ' LEU . 61.1 pttt -67.23 -31.45 71.82 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.26 -173.925 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 42.1 mmt180 -72.06 -43.88 64.2 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.056 -178.752 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -84.14 -11.76 56.07 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -177.267 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 C--N 1.326 -0.436 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.878 . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . 0.438 ' O ' ' HD3' ' A' ' 399' ' ' LYS . 24.6 mm-40 . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 120.911 0.386 . . . . 0.0 110.044 . . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -64.66 -21.62 66.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.131 174.446 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.01 -59.72 8.18 Favored Glycine 0 N--CA 1.445 -0.714 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.826 178.803 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.495 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -66.93 -28.64 43.64 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.873 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 -179.46 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . 0.677 ' O ' HG23 ' A' ' 402' ' ' ILE . 1.1 mptm? -64.3 -45.25 88.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.795 0.331 . . . . 0.0 111.267 178.659 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -70.88 -42.99 69.3 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.019 177.698 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -73.37 -23.38 60.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.779 -177.619 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 402' ' ' ILE . . . . . 0.677 HG23 ' O ' ' A' ' 399' ' ' LYS . 9.7 tp -71.41 -37.32 64.45 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.262 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 176.995 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.648 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 70.2 mtp180 -60.88 -46.62 89.9 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 174.46 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 55.3 mtt-85 -62.7 -52.24 64.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.156 179.148 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 405' ' ' GLN . . . . . 0.624 ' O ' ' HB2' ' A' ' 409' ' ' LEU . 41.8 mt-30 -68.81 -43.59 75.27 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.287 -174.204 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -73.99 -16.09 61.08 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.166 -0.614 . . . . 0.0 110.33 179.672 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.648 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 14.5 t80 -68.67 -60.84 2.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.229 177.135 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . 0.61 HD21 ' O ' ' A' ' 405' ' ' GLN . 2.1 pt? -73.23 -26.07 60.98 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.249 -179.2 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 409' ' ' LEU . . . . . 0.624 ' HB2' ' O ' ' A' ' 405' ' ' GLN . 5.5 tt -58.04 -45.63 86.68 Favored 'General case' 0 C--O 1.219 -0.512 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 174.848 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -59.04 -43.84 91.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.756 176.081 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 411' ' ' SER . . . . . 0.458 ' O ' ' HG3' ' A' ' 414' ' ' ARG . 22.9 t -62.6 -57.77 9.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.738 179.193 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.561 HD23 ' HB3' ' A' ' 428' ' ' ARG . 4.3 pp -64.91 -20.68 66.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.956 0.408 . . . . 0.0 111.387 -179.717 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 15.9 t-160 -73.53 -40.88 63.67 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 175.412 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 414' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' A' ' 411' ' ' SER . 4.2 ppt_? -79.51 -3.71 48.0 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.173 0.511 . . . . 0.0 110.458 177.429 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -89.68 9.98 25.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.049 171.378 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 97.2 mt . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.057 175.898 . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . 0.565 ' CG ' ' HD3' ' A' ' 425' ' ' LYS . 10.3 t70 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 . . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 88.3 mt -105.24 -28.11 11.14 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.047 0.451 . . . . 0.0 111.062 -176.779 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 424' ' ' SER . . . . . 0.411 ' O ' ' HG3' ' A' ' 428' ' ' ARG . 71.5 m -79.42 -23.54 43.13 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.206 -0.452 . . . . 0.0 112.208 -173.131 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . 0.565 ' HD3' ' CG ' ' A' ' 422' ' ' ASP . 10.2 mptt -60.96 -33.07 72.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.491 0.662 . . . . 0.0 109.85 171.702 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 426' ' ' GLU . . . . . 0.59 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 45.2 tt0 -75.28 -39.79 59.34 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.565 179.808 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.22 -33.7 75.07 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 174.497 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 428' ' ' ARG . . . . . 0.561 ' HB3' HD23 ' A' ' 412' ' ' LEU . 27.3 mtp180 -71.37 -45.87 61.8 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.183 -176.447 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.5 pp -62.23 -31.68 72.26 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.133 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 430' ' ' TRP . . . . . 0.409 ' N ' HD11 ' A' ' 429' ' ' LEU . 3.0 t90 -75.44 -31.25 60.26 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.731 179.219 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.426 ' O ' HG13 ' A' ' 435' ' ' ILE . 9.6 tp10 -64.26 -57.4 9.56 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.813 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.544 ' O ' ' HG ' ' A' ' 436' ' ' LEU . 3.9 m -67.17 -30.3 48.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.366 178.921 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . 0.528 ' HB2' ' O ' ' A' ' 429' ' ' LEU . 8.5 tt0 -59.25 -48.98 79.6 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-O 121.017 0.437 . . . . 0.0 109.927 -179.419 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 434' ' ' ARG . . . . . 0.41 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 35.4 ptt180 -71.79 -29.12 64.12 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.522 -176.131 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 435' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 431' ' ' GLU . 74.2 mt -74.03 -59.67 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 121.206 -0.198 . . . . 0.0 111.399 179.639 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . 0.547 HD13 ' N ' ' A' ' 437' ' ' THR . 4.6 pp -57.84 -35.9 71.55 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.485 0.183 . . . . 0.0 111.486 -179.42 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 437' ' ' THR . . . . . 0.547 ' N ' HD13 ' A' ' 436' ' ' LEU . 93.8 m -70.56 -50.77 33.94 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.027 179.775 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -65.31 -36.42 83.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.879 0.371 . . . . 0.0 110.776 -176.623 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 439' ' ' LEU . . . . . 0.546 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 27.1 tp -61.99 -57.57 11.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.499 -177.929 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 440' ' ' LYS . . . . . 0.495 ' HB3' HG13 ' A' ' 398' ' ' ILE . 51.9 pttt -62.58 -30.45 71.34 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.759 0.314 . . . . 0.0 111.229 -178.2 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -70.86 -49.56 44.78 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.52 -178.67 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -70.66 -25.81 63.17 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.563 -179.667 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 64.0 mt . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -177.638 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 . . . . . 0 C--O 1.238 0.482 0 CA-C-O 121.608 0.718 . . . . 0.0 109.149 . . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . 0.557 ' HA ' ' HB2' ' A' ' 399' ' ' LYS . . . -63.31 -13.18 35.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.897 173.977 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -59.43 -54.7 35.59 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.351 -0.7 . . . . 0.0 111.351 177.093 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.587 HD12 HD11 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -70.79 -34.55 56.77 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.713 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.112 177.425 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . 0.557 ' HB2' ' HA ' ' A' ' 396' ' ' ALA . 1.7 mptm? -57.76 -48.05 80.73 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.857 -179.918 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . 0.496 ' HA ' ' HD3' ' A' ' 403' ' ' ARG . 0.5 OUTLIER -70.0 -47.99 59.96 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.169 0.509 . . . . 0.0 109.904 -179.053 . . . . . . . . 3 3 . 1 . 044 nuclear orig core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -64.72 -36.65 84.98 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.818 -179.721 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 402' ' ' ILE . . . . . 0.718 HG13 HD12 ' A' ' 436' ' ' LEU . 13.9 tt -67.03 -29.73 47.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 117.849 0.295 . . . . 0.0 110.512 -178.42 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.554 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 26.8 mtp85 -60.15 -47.48 85.74 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 171.784 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 65.3 mtt180 -63.4 -49.93 71.87 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.772 176.487 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 405' ' ' GLN . . . . . 0.504 ' HG3' HD23 ' A' ' 436' ' ' LEU . 12.2 mm100 -65.59 -52.22 53.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.891 -1.05 . . . . 0.0 111.798 -173.924 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -60.83 -29.37 69.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.752 0.31 . . . . 0.0 110.361 178.275 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.554 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.2 t80 -62.36 -55.47 27.67 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.037 0.446 . . . . 0.0 110.046 178.167 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . 0.496 HD12 ' N ' ' A' ' 409' ' ' LEU . 2.7 pp -73.55 -29.49 62.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.247 179.994 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 409' ' ' LEU . . . . . 0.496 ' N ' HD12 ' A' ' 408' ' ' LEU . 7.0 tt -62.49 -47.43 84.01 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 176.078 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -59.43 -38.06 79.71 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.591 175.326 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 411' ' ' SER . . . . . 0.767 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 38.7 m -65.26 -55.47 18.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.962 179.952 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.569 ' HA ' ' OD2' ' A' ' 415' ' ' ASP . 4.3 pp -69.98 -17.76 63.3 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 121.834 -0.541 . . . . 0.0 111.217 179.041 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . 0.454 ' HD2' HD12 ' A' ' 416' ' ' LEU . 16.3 t-160 -74.49 -41.51 60.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.377 175.343 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 414' ' ' ARG . . . . . 0.767 ' HG2' ' O ' ' A' ' 411' ' ' SER . 27.2 ptt180 -69.27 -21.23 63.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.078 -179.129 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 415' ' ' ASP . . . . . 0.569 ' OD2' ' HA ' ' A' ' 412' ' ' LEU . 57.3 m-20 -58.79 -29.18 66.64 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.786 174.177 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.454 HD12 ' HD2' ' A' ' 413' ' ' HIS . 86.5 mt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.735 -176.44 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . 0.445 ' HB3' ' HD3' ' A' ' 425' ' ' LYS . 1.1 m-20 . . . . . 0 CA--C 1.515 -0.394 0 CA-C-O 121.361 0.6 . . . . 0.0 110.553 . . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 82.7 mt -74.05 -29.82 62.1 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.448 -178.171 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 424' ' ' SER . . . . . 0.552 ' O ' ' HB2' ' A' ' 428' ' ' ARG . 22.9 p -63.37 -38.11 89.89 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.801 -179.214 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . 0.445 ' HD3' ' HB3' ' A' ' 422' ' ' ASP . 5.1 mptp? -62.84 -42.41 99.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.187 0.518 . . . . 0.0 111.016 178.949 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 426' ' ' GLU . . . . . 0.546 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 9.8 tp10 -65.78 -51.28 60.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.272 -176.154 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.28 -23.16 66.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.638 178.506 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 428' ' ' ARG . . . . . 0.552 ' HB2' ' O ' ' A' ' 424' ' ' SER . 3.4 tpp180 -75.71 -49.84 17.09 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.493 -177.436 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.2 pp -60.46 -34.96 74.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.91 0.386 . . . . 0.0 110.458 -179.533 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -72.07 -31.27 65.95 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.284 179.912 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.585 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 18.8 tp10 -71.43 -43.76 66.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.751 176.502 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 428' ' ' ARG . 58.4 t -58.96 -44.86 92.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.163 0.506 . . . . 0.0 110.147 175.709 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -64.81 -42.78 94.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.156 -177.194 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 434' ' ' ARG . . . . . 0.585 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 3.6 ptm180 -67.49 -34.93 78.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.715 -177.326 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 435' ' ' ILE . . . . . . . . . . . . . 77.0 mt -65.76 -48.85 80.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-O 120.795 0.331 . . . . 0.0 110.129 176.129 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . 0.718 HD12 HG13 ' A' ' 402' ' ' ILE . 96.4 mt -57.18 -48.38 78.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.69 177.405 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 32.6 m -58.5 -49.08 78.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.291 -179.974 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.72 -46.4 89.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.963 0.411 . . . . 0.0 110.833 -179.779 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 439' ' ' LEU . . . . . 0.4 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 44.6 tp -64.29 -53.5 47.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.578 -177.172 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 440' ' ' LYS . . . . . 0.505 ' HB3' HG13 ' A' ' 398' ' ' ILE . 19.7 ptmt -60.46 -40.3 90.7 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -173.734 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 -77.65 -29.12 51.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.866 -175.416 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -75.55 -28.38 59.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.851 0.358 . . . . 0.0 110.65 175.718 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 89.8 mt . . . . . 0 C--N 1.324 -0.521 0 CA-C-O 120.989 0.423 . . . . 0.0 110.963 178.528 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . 0.421 ' O ' ' HB2' ' A' ' 399' ' ' LYS . 9.3 mm-40 . . . . . 0 CA--C 1.523 -0.089 0 CA-C-O 120.741 0.305 . . . . 0.0 110.391 . . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -63.14 -17.8 62.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.973 175.533 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.72 -60.2 8.1 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 111.509 -0.636 . . . . 0.0 111.509 178.355 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.642 HD12 HD13 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -72.27 -30.04 34.05 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.689 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 176.417 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . 0.861 ' HE2' ' HA ' ' A' ' 399' ' ' LYS . 0.0 OUTLIER -56.66 -52.82 63.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.72 0.295 . . . . 0.0 110.9 -177.69 . . . . . . . . 3 3 . 1 . 045 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -72.49 -41.99 65.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.742 0.306 . . . . 0.0 110.529 -179.57 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 401' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 29.1 mm-40 -56.62 -49.57 74.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.213 177.379 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 402' ' ' ILE . . . . . 0.642 HD13 HD12 ' A' ' 398' ' ' ILE . 14.2 tt -66.37 -26.49 37.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.028 -175.429 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.646 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 97.5 mtt180 -58.36 -51.42 69.89 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 171.822 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -66.96 -49.52 65.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.4 179.295 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 405' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 76.2 mt-30 -60.44 -50.43 73.62 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.992 -175.908 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . 0.618 ' HA ' ' HB3' ' A' ' 409' ' ' LEU . 36.0 mt-10 -69.73 -25.44 63.84 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.409 -0.516 . . . . 0.0 111.052 179.944 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.565 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.7 t80 -64.84 -51.79 60.18 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 176.858 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . 0.706 HD13 HG22 ' A' ' 432' ' ' VAL . 3.6 pp -72.73 -31.59 65.07 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.554 177.119 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 409' ' ' LEU . . . . . 0.618 ' HB3' ' HA ' ' A' ' 406' ' ' GLU . 56.5 tp -57.56 -50.66 72.37 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.86 175.634 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 410' ' ' ASN . . . . . 0.441 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 11.4 t30 -62.83 -33.74 75.86 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.783 178.612 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 40.2 m -64.83 -49.11 71.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 177.627 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.692 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 9.6 mt -59.12 -48.62 80.95 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-O 122.052 0.93 . . . . 0.0 109.586 175.495 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 1.6 t-160 -57.92 -43.38 86.23 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 113.619 -1.628 . . . . 0.0 111.722 -175.391 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 414' ' ' ARG . . . . . 0.441 ' HG2' ' O ' ' A' ' 410' ' ' ASN . 17.0 ptm180 -83.53 -13.43 54.54 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 121.149 -0.221 . . . . 0.0 111.276 -178.652 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -72.71 -17.27 61.64 Favored 'General case' 0 C--O 1.219 -0.511 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 -178.906 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.479 HD22 ' HB2' ' A' ' 425' ' ' LYS . 26.2 mt . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.426 178.308 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . 0.524 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 10.1 t70 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 121.114 0.483 . . . . 0.0 109.872 . . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 74.5 mt -86.36 -17.94 33.16 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -174.75 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 424' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 428' ' ' ARG . 72.7 m -66.77 -48.69 68.25 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.426 178.489 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . 0.524 ' HG2' ' OD1' ' A' ' 422' ' ' ASP . 22.8 mmtm -66.03 -35.9 81.81 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 120.989 0.423 . . . . 0.0 109.866 179.113 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 426' ' ' GLU . . . . . 0.599 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 9.4 tp10 -59.82 -57.58 12.26 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.756 -174.452 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -74.95 -20.51 59.65 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.547 -176.717 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 428' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 424' ' ' SER . 19.8 tpt180 -77.92 -46.72 20.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.535 179.381 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.0 pp -57.9 -37.85 74.75 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 177.503 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -72.19 -31.3 65.77 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 121.105 0.479 . . . . 0.0 110.514 179.681 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.644 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 32.5 tt0 -72.28 -47.72 47.9 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.625 179.531 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.706 HG22 HD13 ' A' ' 408' ' ' LEU . 12.1 p -69.44 -28.91 39.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.94 0.4 . . . . 0.0 110.228 179.309 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -64.78 -44.31 90.42 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.222 177.868 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 434' ' ' ARG . . . . . 0.644 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 24.9 ptt180 -69.29 -25.85 64.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.335 -178.416 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 435' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 431' ' ' GLU . 81.1 mt -70.01 -59.84 3.08 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.111 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.839 176.853 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . 0.442 ' O ' ' HG2' ' A' ' 440' ' ' LYS . 4.4 pp -56.9 -31.91 65.37 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.46 0.172 . . . . 0.0 111.097 -179.454 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 437' ' ' THR . . . . . 0.689 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 64.1 m -68.0 -57.15 6.63 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 121.186 -0.205 . . . . 0.0 110.983 177.355 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.61 -38.75 88.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.908 0.385 . . . . 0.0 110.34 -178.746 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 439' ' ' LEU . . . . . 0.453 ' HG ' ' HB ' ' A' ' 398' ' ' ILE . 30.9 tp -60.03 -54.06 50.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.117 -178.275 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 440' ' ' LYS . . . . . 0.689 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 52.0 pttt -64.55 -30.89 71.92 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.494 -176.895 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 441' ' ' ARG . . . . . 0.505 ' HG2' ' O ' ' A' ' 437' ' ' THR . 24.4 mmt180 -68.22 -52.72 30.97 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.296 -178.566 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -76.97 -16.35 59.36 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -178.329 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 C--N 1.327 -0.392 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.273 179.067 . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 . . . . . 0 C--O 1.233 0.198 0 CA-C-O 121.408 0.623 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -67.25 -20.32 65.65 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 168.767 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.28 -57.54 14.9 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.508 176.572 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.439 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -65.5 -30.85 51.44 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.659 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.021 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . 0.488 ' O ' HG22 ' A' ' 402' ' ' ILE . 1.0 OUTLIER -57.56 -52.49 65.19 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -177.043 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -71.32 -40.98 70.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.969 0.414 . . . . 0.0 110.808 178.938 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -61.39 -41.71 97.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.958 178.87 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 402' ' ' ILE . . . . . 0.53 ' HA ' ' HB2' ' A' ' 405' ' ' GLN . 14.1 tt -70.03 -29.05 38.56 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.472 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.708 -176.708 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.556 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 93.7 mtt180 -60.95 -44.6 97.05 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 173.454 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -71.1 -43.2 68.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.544 177.59 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 405' ' ' GLN . . . . . 0.53 ' HB2' ' HA ' ' A' ' 402' ' ' ILE . 16.7 mt-30 -65.56 -50.91 63.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.843 -177.853 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -62.9 -31.45 72.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.8 0.333 . . . . 0.0 110.256 177.924 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.556 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.0 t80 -59.67 -55.37 35.18 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.898 177.242 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . 0.651 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.4 pp -73.08 -32.29 64.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.295 -179.419 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 409' ' ' LEU . . . . . 0.513 ' N ' HD11 ' A' ' 408' ' ' LEU . 7.2 tt -60.71 -50.97 71.36 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 177.873 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 410' ' ' ASN . . . . . 0.561 ' O ' ' HG3' ' A' ' 414' ' ' ARG . 6.2 t30 -57.37 -44.19 84.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.123 177.497 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 45.7 m -63.0 -55.75 23.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.639 -178.666 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.651 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 4.2 pp -71.35 -14.2 62.11 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 120.93 0.395 . . . . 0.0 110.996 -178.551 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 -71.77 -32.06 67.28 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 170.78 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 414' ' ' ARG . . . . . 0.561 ' HG3' ' O ' ' A' ' 410' ' ' ASN . 71.9 mtp180 -82.85 -14.96 53.34 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.292 178.079 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 415' ' ' ASP . . . . . 0.467 ' HB2' ' O ' ' A' ' 412' ' ' LEU . 0.7 OUTLIER -61.26 -18.45 58.45 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.712 171.79 . . . . . . . . 3 3 . 1 . 046 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.528 HD23 ' HB2' ' A' ' 425' ' ' LYS . 36.7 mt . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.813 -178.345 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . 0.503 ' CG ' ' HG2' ' A' ' 425' ' ' LYS . 14.3 t0 . . . . . 0 N--CA 1.451 -0.381 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 . . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.4 mp -102.38 -18.91 15.18 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.125 0.488 . . . . 0.0 110.224 -179.572 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 424' ' ' SER . . . . . 0.462 ' HA ' ' OE2' ' A' ' 427' ' ' GLU . 68.3 m -76.81 -30.37 56.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.851 -174.867 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . 0.528 ' HB2' HD23 ' A' ' 416' ' ' LEU . 28.5 mmtp -64.09 -30.98 72.02 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 120.957 0.408 . . . . 0.0 109.905 175.281 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 426' ' ' GLU . . . . . 0.565 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 40.9 tt0 -73.4 -42.29 62.28 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -179.365 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . 0.462 ' OE2' ' HA ' ' A' ' 424' ' ' SER . 28.2 mt-10 -62.15 -33.44 74.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.652 173.644 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 428' ' ' ARG . . . . . 0.545 ' O ' HG13 ' A' ' 432' ' ' VAL . 42.4 ttt180 -75.47 -43.57 48.7 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.744 -175.083 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.6 pp -63.07 -29.53 70.88 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-O 120.776 0.322 . . . . 0.0 110.138 178.801 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -77.21 -30.49 54.68 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 120.251 -0.579 . . . . 0.0 110.239 177.569 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.531 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 24.8 tt0 -69.44 -51.66 34.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.376 179.793 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.545 HG13 ' O ' ' A' ' 428' ' ' ARG . 1.5 p -61.07 -36.73 74.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.231 176.593 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -64.54 -49.03 72.85 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.843 0.354 . . . . 0.0 110.716 179.166 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 434' ' ' ARG . . . . . 0.531 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 29.5 ptt180 -65.23 -23.5 67.09 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.711 -177.021 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 435' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 431' ' ' GLU . 88.4 mt -79.85 -55.24 9.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.882 177.173 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . 0.499 ' O ' ' HG2' ' A' ' 440' ' ' LYS . 4.5 pp -61.06 -31.61 71.27 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 121.157 -0.217 . . . . 0.0 110.774 -178.254 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 437' ' ' THR . . . . . 0.437 ' N ' HD12 ' A' ' 436' ' ' LEU . 70.1 m -69.61 -58.72 3.59 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.512 177.399 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.58 -33.82 73.27 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 120.757 0.313 . . . . 0.0 111.119 -177.283 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 439' ' ' LEU . . . . . 0.469 ' O ' HD22 ' A' ' 443' ' ' LEU . 24.8 tp -63.79 -60.74 2.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.792 -177.786 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 440' ' ' LYS . . . . . 0.499 ' HG2' ' O ' ' A' ' 436' ' ' LEU . 58.1 pttt -63.97 -33.64 76.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.917 0.389 . . . . 0.0 111.241 -176.648 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -68.46 -55.68 10.99 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.337 -179.369 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -67.63 -28.06 67.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.719 0.295 . . . . 0.0 111.373 -178.987 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . 0.469 HD22 ' O ' ' A' ' 439' ' ' LEU . 4.3 mm? . . . . . 0 C--N 1.324 -0.532 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.464 -179.577 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . 0.619 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 . . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -63.45 -14.1 47.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.48 174.538 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.68 -59.98 8.88 Favored Glycine 0 N--CA 1.441 -1.009 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 177.966 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.58 ' HB ' HD22 ' A' ' 439' ' ' LEU . 0.0 OUTLIER -64.92 -32.56 58.74 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.677 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.302 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . 0.619 ' HG2' ' O ' ' A' ' 395' ' ' GLN . 32.7 mmtp -58.44 -52.65 64.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.925 0.393 . . . . 0.0 110.914 179.245 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . 0.657 ' HG3' HH21 ' A' ' 403' ' ' ARG . 44.0 tt0 -70.85 -44.88 65.53 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.764 0.316 . . . . 0.0 110.412 -179.207 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -62.98 -40.97 99.34 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 -178.781 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 402' ' ' ILE . . . . . 0.714 HG13 HD22 ' A' ' 436' ' ' LEU . 12.0 tt -66.88 -33.41 63.22 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.287 0 C-N-CA 121.244 -0.182 . . . . 0.0 110.655 -178.035 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.657 HH21 ' HG3' ' A' ' 400' ' ' GLU . 77.5 mtm180 -58.06 -48.54 79.8 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 175.341 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . 0.435 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 83.7 mtp180 -75.93 -37.86 58.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.627 -177.975 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 405' ' ' GLN . . . . . 0.413 ' NE2' ' HB3' ' A' ' 436' ' ' LEU . 26.1 mt-30 -71.13 -43.25 67.99 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.544 -178.678 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -68.22 -27.71 66.61 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 174.933 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.583 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.5 t80 -62.31 -54.06 46.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.9 176.949 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . 0.637 HD13 HG11 ' A' ' 432' ' ' VAL . 3.3 pp -74.48 -24.22 58.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 178.821 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 409' ' ' LEU . . . . . 0.44 ' N ' HD12 ' A' ' 408' ' ' LEU . 8.5 tt -65.49 -43.76 89.2 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 174.391 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -58.81 -43.72 90.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.237 172.54 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 411' ' ' SER . . . . . 0.436 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 34.1 t -59.74 -53.54 56.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.082 179.375 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.803 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 4.4 pp -67.73 -24.43 65.37 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 120.439 -0.504 . . . . 0.0 111.3 -179.157 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . 0.41 ' N ' HD13 ' A' ' 412' ' ' LEU . 1.8 m-70 -68.75 -44.85 72.9 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.529 0.204 . . . . 0.0 111.431 173.892 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 414' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' A' ' 411' ' ' SER . 16.5 ptp180 -72.73 -10.19 59.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.227 0.537 . . . . 0.0 110.421 178.069 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.77 13.5 34.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.814 174.553 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 412' ' ' LEU . 54.0 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.251 170.348 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . 0.445 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 10.1 t70 . . . . . 0 C--O 1.232 0.133 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 78.6 mt -113.73 -35.54 5.14 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-O 121.356 0.598 . . . . 0.0 110.472 179.179 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 4.4 m -59.37 -40.05 85.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.876 -175.885 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . 0.803 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 0.3 OUTLIER -56.92 -33.68 67.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.96 -179.785 . . . . . . . . 3 3 . 1 . 047 nuclear orig core ' A' A ' 426' ' ' GLU . . . . . 0.44 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 37.1 tt0 -74.66 -44.87 48.22 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -177.018 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -64.8 -30.29 71.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.484 0.659 . . . . 0.0 110.02 176.245 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -76.21 -40.86 51.16 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.873 -178.423 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . 0.791 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.4 pp -64.95 -32.35 74.02 Favored 'General case' 0 CA--C 1.513 -0.451 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.835 178.776 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 430' ' ' TRP . . . . . 0.521 ' N ' HD13 ' A' ' 429' ' ' LEU . 1.5 t90 -78.77 -27.77 44.67 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 120.376 -0.529 . . . . 0.0 110.406 179.624 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 44.1 tt0 -62.58 -57.0 12.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.378 179.272 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.637 HG11 HD13 ' A' ' 408' ' ' LEU . 33.4 m -68.39 -32.14 54.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.039 179.883 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -65.89 -49.94 66.27 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.241 -179.778 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 434' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 14.8 ptm180 -63.14 -33.86 76.37 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.793 -176.655 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 435' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 431' ' ' GLU . 66.2 mt -66.8 -55.29 18.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.919 179.307 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . 0.714 HD22 HG13 ' A' ' 402' ' ' ILE . 4.5 pp -63.61 -32.62 74.15 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.415 -178.502 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 437' ' ' THR . . . . . 0.787 ' HA ' ' HE3' ' A' ' 440' ' ' LYS . 90.0 m -66.91 -55.71 13.46 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.712 178.07 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.72 -41.99 98.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.336 -175.795 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 439' ' ' LEU . . . . . 0.58 HD22 ' HB ' ' A' ' 398' ' ' ILE . 45.7 tp -59.9 -59.4 5.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.323 -177.606 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 440' ' ' LYS . . . . . 0.787 ' HE3' ' HA ' ' A' ' 437' ' ' THR . 18.9 pttp -61.93 -32.15 72.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.687 0.28 . . . . 0.0 111.508 -174.488 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 -75.32 -47.93 25.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.983 -178.137 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -74.57 -24.16 58.87 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.516 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . 0.545 HD21 HE21 ' A' ' 395' ' ' GLN . 8.5 tt . . . . . 0 C--N 1.326 -0.439 0 CA-C-O 120.715 0.293 . . . . 0.0 111.133 -176.954 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . 0.589 ' HA ' HD22 ' A' ' 443' ' ' LEU . 24.9 tp60 . . . . . 0 C--O 1.24 0.558 0 CA-C-O 121.343 0.592 . . . . 0.0 109.643 . . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . 0.483 ' HA ' ' HB2' ' A' ' 399' ' ' LYS . . . -66.75 -9.8 40.49 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.887 176.373 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.08 -64.73 3.44 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 178.679 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.559 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -66.49 -26.09 36.76 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.312 . . . . . . . . 3 3 . 1 . 048 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . 0.491 ' O ' HG22 ' A' ' 402' ' ' ILE . 62.3 mmtt -62.4 -52.15 64.71 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.991 179.152 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -68.64 -44.82 73.36 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.764 -0.774 . . . . 0.0 109.647 176.22 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -63.75 -34.34 77.66 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.912 -176.699 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 402' ' ' ILE . . . . . 0.491 HG22 ' O ' ' A' ' 399' ' ' LYS . 11.2 tp -69.07 -39.68 79.84 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.307 0 CA-C-N 118.276 0.489 . . . . 0.0 110.192 179.279 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.569 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 83.3 mtp180 -59.98 -41.09 91.27 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 120.982 0.42 . . . . 0.0 109.928 176.255 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . 0.413 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 54.7 mtp180 -78.88 -38.93 36.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.575 -176.726 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 405' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -73.89 -40.71 63.0 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 122.464 -0.148 . . . . 0.0 110.979 -179.677 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -66.83 -29.2 69.07 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.336 -0.546 . . . . 0.0 109.678 174.449 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.569 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.8 t80 -62.96 -55.47 25.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.527 176.504 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . 0.516 HD13 ' N ' ' A' ' 409' ' ' LEU . 3.1 pp -70.4 -31.64 68.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.258 179.272 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 409' ' ' LEU . . . . . 0.516 ' N ' HD13 ' A' ' 408' ' ' LEU . 17.4 tp -58.88 -49.93 75.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.199 0.523 . . . . 0.0 109.631 175.291 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -61.87 -39.81 93.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.021 177.331 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 52.5 m -64.7 -55.2 21.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.545 -179.471 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.805 HD11 ' HB3' ' A' ' 429' ' ' LEU . 4.4 pp -65.87 -22.9 66.56 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.677 0.275 . . . . 0.0 111.089 -178.326 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . 0.408 ' N ' HD13 ' A' ' 412' ' ' LEU . 22.7 m170 -67.44 -34.96 78.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.049 0.452 . . . . 0.0 110.123 172.384 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 53.4 mtm180 -71.45 -26.74 62.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.42 176.373 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -80.05 4.81 15.92 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.891 0.377 . . . . 0.0 110.714 175.168 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 412' ' ' LEU . 75.7 mt . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.527 176.847 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . 0.59 ' CG ' ' HD3' ' A' ' 425' ' ' LYS . 9.9 t0 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 . . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 80.0 mt -87.66 -17.57 31.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.742 -176.716 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 47.4 m -74.35 -38.94 63.08 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.72 -176.183 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . 0.59 ' HD3' ' CG ' ' A' ' 422' ' ' ASP . 11.9 mptt -60.31 -33.33 72.22 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 120.722 0.296 . . . . 0.0 110.962 177.907 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 426' ' ' GLU . . . . . 0.65 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 40.4 mt-10 -71.64 -48.42 47.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.712 -177.052 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -66.19 -28.98 69.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.151 0.501 . . . . 0.0 110.405 175.915 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -75.12 -40.75 59.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.857 -177.41 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . 0.805 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.3 pp -63.07 -37.96 89.28 Favored 'General case' 0 CA--C 1.513 -0.479 0 C-N-CA 120.643 -0.423 . . . . 0.0 109.888 178.993 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 4.3 t90 -73.71 -26.84 60.89 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.52 179.724 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.58 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 38.9 tt0 -65.29 -52.53 53.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.047 177.798 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 18.6 m -69.85 -33.7 57.07 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.422 179.127 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -62.36 -45.64 92.28 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 120.845 0.355 . . . . 0.0 110.258 179.348 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 434' ' ' ARG . . . . . 0.58 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 37.6 ptt180 -68.14 -28.09 67.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.066 -179.02 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 435' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 431' ' ' GLU . 82.8 mt -72.91 -58.8 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 121.112 -0.235 . . . . 0.0 110.871 177.33 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . 0.432 HD12 ' N ' ' A' ' 437' ' ' THR . 4.1 pp -58.15 -35.43 71.53 Favored 'General case' 0 C--N 1.333 -0.135 0 O-C-N 123.073 0.233 . . . . 0.0 110.818 -177.604 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 437' ' ' THR . . . . . 0.432 ' N ' HD12 ' A' ' 436' ' ' LEU . 93.2 m -67.43 -58.67 4.33 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.884 176.997 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.22 -40.93 95.84 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.006 -175.03 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 53.0 tp -59.64 -58.61 7.82 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.312 -177.4 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 440' ' ' LYS . . . . . 0.559 ' HB3' HG13 ' A' ' 398' ' ' ILE . 11.5 pttp -61.14 -28.53 69.18 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 121.029 0.442 . . . . 0.0 110.83 -175.522 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 441' ' ' ARG . . . . . 0.412 ' HG2' ' O ' ' A' ' 437' ' ' THR . 40.3 mmt180 -68.0 -58.38 4.61 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.888 178.284 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 6.6 ptmm? -78.22 8.94 4.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 111.067 -179.724 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . 0.589 HD22 ' HA ' ' A' ' 395' ' ' GLN . 50.0 tp . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.059 176.262 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . 0.606 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 22.5 mm-40 . . . . . 0 CA--C 1.518 -0.269 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 . . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -66.67 -22.91 66.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.225 175.887 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -59.88 -52.94 49.9 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.056 -179.84 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.597 ' HB ' HD23 ' A' ' 439' ' ' LEU . 0.0 OUTLIER -70.19 -37.45 71.67 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.63 0 C-N-CA 120.719 -0.393 . . . . 0.0 109.97 178.631 . . . . . . . . 3 3 . 1 . 049 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . 0.606 ' HG2' ' O ' ' A' ' 395' ' ' GLN . 13.8 mmmm -59.99 -45.8 91.53 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.692 -175.696 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -68.69 -45.55 71.35 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.116 0.484 . . . . 0.0 110.875 179.297 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -70.37 -35.27 73.43 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.984 -177.513 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 402' ' ' ILE . . . . . 0.744 HG13 HD21 ' A' ' 436' ' ' LEU . 15.2 tt -66.92 -30.86 51.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -179.712 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.588 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 72.8 mtp180 -59.09 -50.35 74.41 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 172.255 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . 0.476 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 41.2 mtm180 -64.31 -49.9 69.94 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.688 178.788 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 405' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -64.0 -46.67 83.51 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.205 -174.401 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -73.69 -20.29 60.58 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.068 -0.653 . . . . 0.0 110.865 179.886 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.588 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.8 t80 -71.31 -49.75 39.53 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.599 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . 0.481 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.7 pp -73.13 -28.36 62.2 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.639 177.513 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 409' ' ' LEU . . . . . 0.466 ' N ' HD12 ' A' ' 408' ' ' LEU . 9.4 tt -60.16 -45.67 92.31 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 173.494 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -54.59 -46.02 73.69 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.643 175.488 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 411' ' ' SER . . . . . 0.467 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 6.8 t -63.35 -57.54 10.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.034 -179.252 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.562 HD13 ' HB3' ' A' ' 429' ' ' LEU . 4.4 pp -67.47 -20.86 65.53 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 120.761 0.315 . . . . 0.0 111.224 -178.261 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -64.61 -46.86 80.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.83 0.348 . . . . 0.0 110.663 176.238 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 414' ' ' ARG . . . . . 0.467 ' HG2' ' O ' ' A' ' 411' ' ' SER . 6.7 ptm180 -78.62 -13.17 59.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.865 0.364 . . . . 0.0 110.612 -177.405 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.67 -11.74 60.53 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.68 172.806 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.533 HD22 ' HB2' ' A' ' 425' ' ' LYS . 81.3 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.802 176.401 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . 0.666 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 12.5 t70 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 . . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -104.73 -11.95 16.59 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.141 0.496 . . . . 0.0 110.58 -179.669 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 424' ' ' SER . . . . . 0.456 ' O ' ' HG2' ' A' ' 428' ' ' ARG . 64.7 m -72.99 -42.27 63.47 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.899 -176.769 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . 0.666 ' HG2' ' OD1' ' A' ' 422' ' ' ASP . 48.0 mmtt -57.97 -37.54 74.4 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.399 0.618 . . . . 0.0 109.758 178.748 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 426' ' ' GLU . . . . . 0.557 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 9.0 tp10 -62.79 -50.67 70.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.581 -1.191 . . . . 0.0 109.973 -177.387 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -73.31 -18.03 61.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.069 178.872 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 428' ' ' ARG . . . . . 0.456 ' HG2' ' O ' ' A' ' 424' ' ' SER . 33.3 mmt180 -79.52 -43.37 23.23 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.157 178.754 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . 0.562 ' HB3' HD13 ' A' ' 412' ' ' LEU . 4.5 pp -63.99 -35.94 82.33 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 177.748 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -76.27 -26.98 56.47 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.232 179.124 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.489 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 42.4 tt0 -63.29 -57.52 10.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.822 178.169 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 24.8 m -68.54 -31.53 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.238 -179.933 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -63.26 -44.41 95.22 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.967 0.413 . . . . 0.0 110.286 -179.842 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 434' ' ' ARG . . . . . 0.489 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 12.3 ptt180 -72.46 -28.51 62.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.925 -178.352 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 435' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 431' ' ' GLU . 73.1 mt -68.17 -54.77 19.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 116.717 -0.219 . . . . 0.0 111.009 177.936 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . 0.744 HD21 HG13 ' A' ' 402' ' ' ILE . 4.3 pp -63.05 -35.04 78.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.802 179.378 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 437' ' ' THR . . . . . 0.583 ' HA ' ' HE3' ' A' ' 440' ' ' LYS . 97.3 m -71.55 -45.45 62.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.861 -0.154 . . . . 0.0 111.383 -179.945 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . 0.555 ' O ' ' HB2' ' A' ' 442' ' ' LYS . . . -55.42 -48.71 73.99 Favored 'General case' 0 CA--C 1.516 -0.341 0 O-C-N 123.359 0.412 . . . . 0.0 110.886 -178.64 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 439' ' ' LEU . . . . . 0.597 HD23 ' HB ' ' A' ' 398' ' ' ILE . 34.5 tp -64.1 -57.87 8.33 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.063 -177.368 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 440' ' ' LYS . . . . . 0.583 ' HE3' ' HA ' ' A' ' 437' ' ' THR . 22.9 pttp -64.35 -32.13 73.61 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -172.321 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 441' ' ' ARG . . . . . 0.41 ' HD3' ' HA ' ' A' ' 441' ' ' ARG . 37.3 mmt180 -82.96 -44.78 14.91 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.365 -178.807 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 442' ' ' LYS . . . . . 0.555 ' HB2' ' O ' ' A' ' 438' ' ' ALA . 14.1 mptt -69.58 -18.41 63.63 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.072 178.093 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . 0.45 HD23 HE21 ' A' ' 395' ' ' GLN . 17.1 tp . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.375 -178.849 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 . . . . . 0 C--O 1.232 0.17 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' A' A ' 396' ' ' ALA . . . . . 0.452 ' HA ' ' HB2' ' A' ' 399' ' ' LYS . . . -66.09 -10.96 45.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.153 174.676 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.44 -55.03 31.35 Favored Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.596 176.786 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 398' ' ' ILE . . . . . 0.49 ' CD1' ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -70.45 -32.93 51.74 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.609 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 176.861 . . . . . . . . 3 3 . 1 . 050 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . 0.452 ' HB2' ' HA ' ' A' ' 396' ' ' ALA . 71.4 mmtt -55.38 -52.43 63.55 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -178.732 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -72.91 -38.49 66.88 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.73 0.3 . . . . 0.0 111.176 179.444 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.46 -47.17 85.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.367 178.313 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 402' ' ' ILE . . . . . 0.434 HG13 ' HB2' ' A' ' 436' ' ' LEU . 13.2 tt -65.83 -30.47 50.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.502 -177.209 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.626 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 89.5 mtt180 -57.55 -49.86 74.97 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.176 173.091 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 404' ' ' ARG . . . . . 0.504 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 63.5 mtm180 -72.54 -43.0 64.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.114 -179.782 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 405' ' ' GLN . . . . . 0.456 ' O ' ' HB2' ' A' ' 409' ' ' LEU . 75.1 mt-30 -65.15 -42.7 93.53 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.975 -177.344 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -78.65 -20.01 51.28 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.07 -0.652 . . . . 0.0 110.729 177.884 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 407' ' ' PHE . . . . . 0.626 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 4.1 t80 -69.18 -51.56 36.83 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 175.249 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 408' ' ' LEU . . . . . 0.506 HD12 ' N ' ' A' ' 409' ' ' LEU . 3.4 pp -70.63 -29.74 66.19 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.31 176.805 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 409' ' ' LEU . . . . . 0.568 ' O ' ' HB2' ' A' ' 413' ' ' HIS . 7.0 tt -61.04 -49.17 78.48 Favored 'General case' 0 C--O 1.224 -0.257 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 175.018 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.22 -41.54 84.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.735 174.804 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 38.2 m -61.38 -58.18 9.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.958 179.809 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 412' ' ' LEU . . . . . 0.741 HD12 ' HB3' ' A' ' 429' ' ' LEU . 4.6 pp -65.61 -26.1 67.68 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 121.0 0.429 . . . . 0.0 110.987 -179.212 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . 0.568 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 10.4 t-160 -66.48 -34.63 78.35 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 177.423 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -76.67 -26.4 54.76 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.02 177.888 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 415' ' ' ASP . . . . . 0.419 ' OD2' ' HA ' ' A' ' 412' ' ' LEU . 16.2 m-20 -64.29 -18.06 64.23 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.669 175.78 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.543 HD21 ' HB2' ' A' ' 425' ' ' LYS . 49.2 mt . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 178.057 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . 0.563 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 10.0 t70 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 . . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 83.3 mt -109.4 -13.47 14.59 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.702 -178.941 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 424' ' ' SER . . . . . 0.595 ' O ' ' HG2' ' A' ' 428' ' ' ARG . 78.0 p -71.63 -39.76 70.18 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.326 179.643 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 425' ' ' LYS . . . . . 0.563 ' HG2' ' OD1' ' A' ' 422' ' ' ASP . 41.6 mmtm -71.12 -30.22 66.23 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 177.488 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 426' ' ' GLU . . . . . 0.474 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 4.9 mm-40 -62.88 -51.31 67.49 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.321 179.112 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -67.96 -23.76 65.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.263 178.887 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 428' ' ' ARG . . . . . 0.595 ' HG2' ' O ' ' A' ' 424' ' ' SER . 24.1 mmm180 -75.75 -48.05 23.39 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.111 -179.36 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 429' ' ' LEU . . . . . 0.741 ' HB3' HD12 ' A' ' 412' ' ' LEU . 4.2 pp -62.79 -31.68 72.7 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.511 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -78.18 -29.36 48.48 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.466 179.748 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.603 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 7.7 tp10 -69.1 -57.06 5.91 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 121.153 0.501 . . . . 0.0 109.825 -179.528 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.486 HG22 HD11 ' A' ' 409' ' ' LEU . 30.0 m -67.62 -25.89 34.04 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.959 179.796 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 433' ' ' GLN . . . . . 0.616 ' HB2' ' O ' ' A' ' 429' ' ' LEU . 6.6 tp-100 -59.49 -50.59 73.33 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.756 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 434' ' ' ARG . . . . . 0.603 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 16.5 ptm180 -68.47 -32.67 72.83 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.375 -177.555 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 435' ' ' ILE . . . . . . . . . . . . . 78.6 mt -69.16 -57.17 9.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-N 116.603 -0.272 . . . . 0.0 111.119 -179.722 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 436' ' ' LEU . . . . . 0.502 ' O ' ' HG2' ' A' ' 440' ' ' LYS . 4.4 pp -61.44 -36.39 80.23 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-O 120.533 0.206 . . . . 0.0 111.006 -178.514 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 437' ' ' THR . . . . . 0.683 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 84.9 m -70.1 -49.21 53.11 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 121.111 -0.236 . . . . 0.0 110.991 179.338 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . 0.443 ' O ' ' HD3' ' A' ' 442' ' ' LYS . . . -62.95 -43.77 97.88 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.786 0.326 . . . . 0.0 110.518 -177.408 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 439' ' ' LEU . . . . . 0.573 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 23.1 tp -60.17 -53.58 55.99 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.632 -175.531 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 440' ' ' LYS . . . . . 0.683 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 54.5 pttt -63.68 -35.44 80.57 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.428 -178.196 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -74.25 -41.5 61.19 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.524 -176.521 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 442' ' ' LYS . . . . . 0.443 ' HD3' ' O ' ' A' ' 438' ' ' ALA . 4.9 mptp? -74.74 -13.54 60.61 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.928 178.609 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 46.0 mt . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.467 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.613 0 N-CA-C 111.743 -0.543 . . . . 0.0 111.743 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 48.7 m -87.03 102.86 14.81 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.895 0.378 . . . . 0.0 110.205 177.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -85.57 81.5 8.65 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.52 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 3.6 p -130.66 102.18 6.01 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.485 -177.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . 0.573 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 0.1 OUTLIER -72.18 -31.82 66.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.179 0.514 . . . . 0.0 109.753 176.596 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -69.16 -18.21 63.91 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.79 174.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.62 -52.88 42.46 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.819 176.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.431 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -67.63 -29.26 44.7 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 177.569 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . 0.632 ' O ' ' HG3' ' A' ' 403' ' ' ARG . 32.4 mmtp -60.21 -50.81 72.21 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.842 178.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -66.84 -44.63 80.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.095 0.474 . . . . 0.0 110.41 177.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -58.13 -50.33 73.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.54 178.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 402' ' ' ILE . . . . . 0.495 ' HA ' ' HB2' ' A' ' 405' ' ' GLN . 12.1 tt -64.97 -26.09 39.23 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.479 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.623 -174.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.632 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 82.5 mtp180 -63.13 -47.96 80.53 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 173.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . 0.434 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 44.4 mtm180 -69.52 -44.87 70.15 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.099 0.476 . . . . 0.0 110.318 178.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 405' ' ' GLN . . . . . 0.495 ' HB2' ' HA ' ' A' ' 402' ' ' ILE . 74.4 mt-30 -60.87 -55.28 34.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.429 -0.805 . . . . 0.0 112.024 -179.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -61.95 -29.85 70.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.811 0.339 . . . . 0.0 110.849 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.507 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.9 t80 -60.03 -56.72 18.17 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.169 0.509 . . . . 0.0 109.733 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . 0.619 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.3 pp -74.01 -29.78 62.12 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.185 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 409' ' ' LEU . . . . . 0.488 ' N ' HD11 ' A' ' 408' ' ' LEU . 5.6 tt -62.07 -50.22 72.85 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 -179.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -61.56 -40.98 96.67 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.999 0.428 . . . . 0.0 110.153 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 28.4 t -58.99 -62.31 1.98 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.943 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 4.2 pp -65.87 -22.69 66.54 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 120.713 0.292 . . . . 0.0 111.067 -177.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . 0.412 ' HD2' HD13 ' A' ' 416' ' ' LEU . 18.2 t-160 -65.37 -34.11 77.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.108 0.48 . . . . 0.0 110.214 175.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -80.14 -22.05 42.48 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.977 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -65.18 -13.24 57.74 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.888 0.375 . . . . 0.0 111.348 174.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.412 HD13 ' HD2' ' A' ' 413' ' ' HIS . 72.8 mt -85.58 -8.1 58.47 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.955 177.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -109.81 139.12 45.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.012 0.434 . . . . 0.0 111.351 -173.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 116.02 29.78 2.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.578 178.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 74.09 27.17 66.91 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.686 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 47.9 mm -93.22 128.59 44.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.14 0.495 . . . . 0.0 110.938 -176.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -97.34 80.13 2.86 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.08 175.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . 0.578 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 10.1 t70 -126.66 123.34 37.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.948 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 83.7 mt -100.22 -13.38 18.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.202 0.525 . . . . 0.0 110.64 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 9.4 t -73.91 -47.81 35.24 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.0 -172.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . 0.612 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 12.0 mptt -62.86 -34.52 77.54 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.31 -177.051 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 426' ' ' GLU . . . . . 0.559 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 28.9 tt0 -74.61 -43.68 54.32 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.883 0.373 . . . . 0.0 110.398 -174.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -62.02 -31.61 72.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.479 0.657 . . . . 0.0 110.113 173.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 428' ' ' ARG . . . . . 0.449 ' HD2' HD22 ' A' ' 412' ' ' LEU . 26.3 ttm180 -75.02 -44.2 49.37 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.755 -177.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 3.5 pp -62.49 -30.95 71.64 Favored 'General case' 0 CA--C 1.513 -0.447 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.05 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -73.92 -32.68 63.64 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.308 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.474 ' O ' HG13 ' A' ' 435' ' ' ILE . 9.7 tp10 -63.59 -53.16 55.99 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 174.044 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 61.5 t -57.68 -45.27 86.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.603 177.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -56.97 -47.71 80.1 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.559 -178.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 434' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -75.73 -26.3 57.35 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.959 -173.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 435' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 431' ' ' GLU . 82.4 mt -71.02 -55.71 13.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 C-N-CA 121.121 -0.232 . . . . 0.0 110.991 177.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . 0.431 HD13 ' N ' ' A' ' 437' ' ' THR . 4.3 pp -59.18 -39.41 82.46 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 120.793 0.33 . . . . 0.0 110.582 -178.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 437' ' ' THR . . . . . 0.431 ' N ' HD13 ' A' ' 436' ' ' LEU . 73.0 m -66.19 -56.99 8.6 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.745 179.009 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.97 -40.25 92.69 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -175.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.469 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 38.2 tp -61.07 -55.7 29.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.277 -177.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 440' ' ' LYS . . . . . 0.431 ' HB3' HG13 ' A' ' 398' ' ' ILE . 18.5 pttp -65.72 -28.5 69.1 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.968 0.413 . . . . 0.0 111.095 -175.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 441' ' ' ARG . . . . . 0.753 ' HD2' ' HG3' ' A' ' 445' ' ' GLU . 18.9 mmm180 -74.39 -46.57 39.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.455 179.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -65.75 -28.68 69.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.578 0.228 . . . . 0.0 111.508 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 64.0 mt -85.66 -35.68 20.76 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -175.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . 0.546 ' HD2' ' OE1' ' A' ' 445' ' ' GLU . 9.8 ttm180 -112.06 -31.62 6.83 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.429 -0.509 . . . . 0.0 112.251 -173.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . 0.753 ' HG3' ' HD2' ' A' ' 441' ' ' ARG . 7.3 mm-40 -89.73 10.39 23.59 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.902 0.382 . . . . 0.0 110.773 -175.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.368 -0.825 . . . . 0.0 110.777 -179.463 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.463 0 N-CA-C 111.735 -0.546 . . . . 0.0 111.735 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 47.7 m -143.07 98.56 3.29 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . 0.438 ' HA ' HD11 ' A' ' 443' ' ' LEU . 9.2 pt-20 -113.81 142.9 45.5 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.384 0.611 . . . . 0.0 112.393 -172.011 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 394' ' ' THR . . . . . 0.601 ' H ' HD11 ' A' ' 443' ' ' LEU . 19.9 p -126.01 59.23 1.32 Allowed 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.043 166.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . 0.559 ' NE2' ' HB2' ' A' ' 444' ' ' ARG . 7.9 tp-100 -66.95 -31.3 71.79 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.299 -179.597 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -70.79 -29.41 65.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.624 173.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -58.9 -56.05 27.47 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 114.932 -1.031 . . . . 0.0 112.008 178.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.604 HD12 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -70.55 -32.9 51.29 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.66 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -179.822 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . 0.842 ' HA ' ' HE3' ' A' ' 399' ' ' LYS . 0.3 OUTLIER -53.54 -59.17 4.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.885 0.374 . . . . 0.0 111.258 -178.122 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -64.73 -49.36 71.12 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-O 121.158 0.504 . . . . 0.0 110.672 -178.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' GLU . . . . . 0.579 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 11.8 mm-40 -60.11 -42.71 95.31 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.898 -178.322 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 402' ' ' ILE . . . . . 0.604 HD12 HD12 ' A' ' 398' ' ' ILE . 12.1 tt -65.16 -33.23 62.29 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.329 0 CA-C-N 117.866 0.303 . . . . 0.0 110.932 -176.29 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.517 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 52.0 mtp180 -59.24 -44.0 92.36 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 175.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . 0.427 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 27.9 mtm180 -75.23 -40.28 59.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.178 179.177 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 405' ' ' GLN . . . . . 0.579 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 46.3 mt-30 -62.61 -53.28 56.93 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.522 178.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -60.2 -32.52 71.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.96 0.41 . . . . 0.0 110.25 177.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.517 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.5 t80 -60.61 -53.86 52.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.123 178.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . 0.482 HD11 ' N ' ' A' ' 409' ' ' LEU . 2.8 pp -75.4 -28.22 59.36 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 121.054 -0.258 . . . . 0.0 111.53 -179.322 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 409' ' ' LEU . . . . . 0.482 ' N ' HD11 ' A' ' 408' ' ' LEU . 6.3 tt -61.49 -46.49 89.79 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 175.194 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -59.53 -39.13 82.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.187 177.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 16.8 t -65.87 -58.43 5.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.203 -179.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.626 ' CD1' ' HB3' ' A' ' 429' ' ' LEU . 4.1 pp -66.17 -21.96 66.34 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 121.829 -0.544 . . . . 0.0 110.743 -179.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 -66.55 -39.37 88.52 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.895 174.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -80.07 -10.09 59.74 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.76 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -71.6 -18.73 62.21 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.931 0.396 . . . . 0.0 110.394 171.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.566 HD23 ' HB2' ' A' ' 425' ' ' LYS . 84.1 mt -86.01 10.85 12.97 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.936 -178.044 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -142.15 142.08 32.7 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.826 0.346 . . . . 0.0 111.286 -175.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 114.06 33.54 1.81 Allowed Glycine 0 N--CA 1.446 -0.633 0 C-N-CA 121.123 -0.561 . . . . 0.0 112.346 -179.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 79.15 30.81 44.89 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.938 -0.648 . . . . 0.0 112.085 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 50.7 mm -108.02 134.65 49.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.633 0.254 . . . . 0.0 110.919 -175.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . 0.419 ' HB3' ' HE2' ' A' ' 421' ' ' LYS . 50.1 mtpt -106.24 84.87 2.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.974 0.416 . . . . 0.0 110.18 175.136 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . 0.529 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 12.3 t70 -131.23 127.96 38.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.015 178.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.6 mp -108.64 -8.23 15.49 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.409 0.623 . . . . 0.0 109.532 177.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 35.1 t -67.57 -49.62 62.35 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.64 -176.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . 0.566 ' HB2' HD23 ' A' ' 416' ' ' LEU . 33.4 mmtm -65.1 -30.29 71.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.112 -177.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 426' ' ' GLU . . . . . 0.551 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 10.7 tp10 -64.27 -53.18 53.01 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.988 -176.011 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -70.01 -27.38 64.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.213 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 -76.95 -43.22 36.11 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.901 -176.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . 0.626 ' HB3' ' CD1' ' A' ' 412' ' ' LEU . 4.0 pp -60.99 -38.7 86.93 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 177.342 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -71.43 -28.47 64.0 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 120.531 -0.468 . . . . 0.0 109.806 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.606 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 41.4 tt0 -73.45 -50.45 21.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.66 177.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.441 HG13 ' HA ' ' A' ' 429' ' ' LEU . 10.2 p -65.06 -32.28 57.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 178.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -65.66 -48.61 71.54 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.046 177.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 434' ' ' ARG . . . . . 0.606 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 24.5 ptt180 -63.22 -31.83 73.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.768 -176.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 435' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 431' ' ' GLU . 82.1 mt -69.93 -55.29 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.731 -0.213 . . . . 0.0 110.82 179.247 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . 0.496 ' O ' ' HG2' ' A' ' 440' ' ' LYS . 4.6 pp -63.17 -31.42 72.56 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 121.13 -0.228 . . . . 0.0 110.867 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 437' ' ' THR . . . . . 0.611 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 85.5 m -70.82 -53.36 15.61 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.18 177.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.5 -32.27 71.29 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.025 0.44 . . . . 0.0 110.596 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.501 ' O ' HD23 ' A' ' 443' ' ' LEU . 30.2 tp -68.77 -56.58 7.6 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.54 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 440' ' ' LYS . . . . . 0.611 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 58.1 pttt -62.55 -44.25 96.8 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.676 -0.41 . . . . 0.0 111.669 -177.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 441' ' ' ARG . . . . . 0.437 ' HG2' ' O ' ' A' ' 437' ' ' THR . 16.8 mmm180 -66.78 -36.46 82.47 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.518 -174.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -94.55 -2.49 51.48 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 121.078 -0.249 . . . . 0.0 111.574 -177.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . 0.601 HD11 ' H ' ' A' ' 394' ' ' THR . 4.5 mm? -114.11 3.72 15.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.014 0.435 . . . . 0.0 110.155 175.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . 0.559 ' HB2' ' NE2' ' A' ' 395' ' ' GLN . 31.4 tpt180 -131.1 -55.23 1.04 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.029 178.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -77.81 -2.47 36.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.81 0.338 . . . . 0.0 110.849 -178.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.526 -0.75 . . . . 0.0 110.183 179.548 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.62 0 N-CA-C 112.137 -0.385 . . . . 0.0 112.137 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 49.4 m 68.9 12.01 8.51 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 122.978 0.511 . . . . 0.0 111.696 178.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -96.05 -25.22 15.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.019 0.438 . . . . 0.0 110.275 177.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 1.9 p -81.93 73.74 8.95 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.248 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -68.08 -30.87 70.16 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 175.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . 0.632 ' HA ' ' HB2' ' A' ' 399' ' ' LYS . . . -65.91 -12.62 56.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.261 174.181 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -59.85 -55.22 31.62 Favored Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 177.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.463 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -73.49 -32.79 37.73 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.65 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 176.757 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . 0.632 ' HB2' ' HA ' ' A' ' 396' ' ' ALA . 1.5 mptm? -60.52 -48.68 80.69 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.678 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -69.63 -44.61 70.27 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-O 120.923 0.392 . . . . 0.0 110.36 178.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' GLU . . . . . 0.491 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 7.4 mm-40 -58.31 -55.27 37.14 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.026 177.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 402' ' ' ILE . . . . . 0.406 ' HA ' ' HB2' ' A' ' 405' ' ' GLN . 11.4 tt -59.44 -29.02 41.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 O-C-N 123.172 0.295 . . . . 0.0 110.98 -175.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.522 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 88.2 mtt180 -59.73 -51.47 69.63 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.426 -0.51 . . . . 0.0 109.986 173.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . 0.523 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 54.3 mtm180 -75.0 -38.88 61.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.811 -178.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 405' ' ' GLN . . . . . 0.491 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 92.3 mt-30 -63.15 -53.72 48.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.209 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -61.64 -30.17 70.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.889 0.376 . . . . 0.0 110.19 177.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.522 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.1 t80 -62.9 -55.26 27.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.042 179.037 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . 0.569 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.8 pp -73.5 -30.29 63.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.975 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 409' ' ' LEU . . . . . 0.533 ' N ' HD11 ' A' ' 408' ' ' LEU . 8.2 tt -61.17 -48.27 82.33 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 175.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -59.19 -38.55 80.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.479 176.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 411' ' ' SER . . . . . 0.585 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 41.0 m -63.52 -60.57 3.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.028 -179.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.61 ' CD1' ' HB3' ' A' ' 429' ' ' LEU . 3.6 pp -70.08 -14.64 62.76 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.315 -0.554 . . . . 0.0 111.38 -179.06 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . 0.509 ' HD2' HD12 ' A' ' 416' ' ' LEU . 17.2 t-160 -73.82 -40.39 63.37 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 174.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 414' ' ' ARG . . . . . 0.585 ' HG2' ' O ' ' A' ' 411' ' ' SER . 15.6 ptm180 -77.81 -13.1 60.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.151 0.501 . . . . 0.0 109.981 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.74 -20.71 65.97 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.568 170.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.509 HD12 ' HD2' ' A' ' 413' ' ' HIS . 38.5 mt -86.62 16.06 5.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.006 -176.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -100.6 104.82 16.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.786 0.327 . . . . 0.0 110.379 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 125.55 -131.8 7.74 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.026 -0.606 . . . . 0.0 112.496 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -86.36 76.38 2.13 Favored Glycine 0 N--CA 1.451 -0.319 0 N-CA-C 111.851 -0.5 . . . . 0.0 111.851 -178.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 78.2 mt -58.4 113.65 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.461 0.648 . . . . 0.0 112.731 -173.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -133.9 35.12 3.34 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 167.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . 0.854 ' HB3' ' HD2' ' A' ' 425' ' ' LYS . 3.4 m-20 -122.26 42.83 3.04 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 111.868 -2.424 . . . . 0.0 109.253 -170.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -59.16 -32.02 69.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.789 -175.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 11.5 p -64.48 -33.67 76.42 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.209 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . 0.854 ' HD2' ' HB3' ' A' ' 422' ' ' ASP . 91.1 mttt -69.99 -29.67 66.81 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.816 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 426' ' ' GLU . . . . . 0.497 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 46.1 mt-10 -67.56 -43.54 80.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.546 0.689 . . . . 0.0 109.609 176.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -65.57 -28.6 69.26 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.105 176.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 428' ' ' ARG . . . . . 0.497 ' O ' HG23 ' A' ' 432' ' ' VAL . 57.7 mtt180 -72.6 -52.19 16.5 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.707 -179.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . 0.61 ' HB3' ' CD1' ' A' ' 412' ' ' LEU . 4.5 pp -59.33 -30.86 68.67 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.429 -179.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 430' ' ' TRP . . . . . 0.404 ' N ' HD11 ' A' ' 429' ' ' LEU . 2.2 t90 -71.61 -37.42 70.94 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.444 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.596 ' HA ' ' HG2' ' A' ' 434' ' ' ARG . 30.1 tt0 -70.23 -42.84 71.73 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 120.571 -0.451 . . . . 0.0 109.79 176.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 428' ' ' ARG . 60.2 t -56.71 -44.16 80.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.994 0.426 . . . . 0.0 109.998 176.166 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -64.34 -43.32 94.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.418 -178.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 434' ' ' ARG . . . . . 0.596 ' HG2' ' HA ' ' A' ' 431' ' ' GLU . 37.6 ptt180 -71.54 -28.34 63.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.647 -176.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 435' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 431' ' ' GLU . 83.2 mt -70.5 -56.05 12.31 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.129 0 CA-C-N 116.795 -0.184 . . . . 0.0 110.522 177.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . 0.501 ' O ' ' HG2' ' A' ' 440' ' ' LYS . 4.4 pp -58.62 -33.13 69.7 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.661 0.267 . . . . 0.0 110.74 -177.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 437' ' ' THR . . . . . 0.571 ' O ' ' HG2' ' A' ' 441' ' ' ARG . 84.4 m -68.09 -57.1 6.64 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.672 177.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -63.4 -35.06 79.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.532 -176.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.413 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 33.4 tp -64.09 -53.76 44.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.814 -176.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 440' ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' A' ' 436' ' ' LEU . 52.6 pttt -64.54 -26.56 68.47 Favored 'General case' 0 CA--C 1.521 -0.171 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.695 -178.151 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 441' ' ' ARG . . . . . 0.571 ' HG2' ' O ' ' A' ' 437' ' ' THR . 38.7 mmt180 -68.0 -49.73 59.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.568 177.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -73.05 -11.99 60.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.164 -0.335 . . . . 0.0 111.67 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 84.9 mt -101.23 -15.83 17.18 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -122.69 -36.72 2.86 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 122.116 -0.365 . . . . 0.0 111.815 -177.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . 0.521 ' HG2' ' HA ' ' A' ' 441' ' ' ARG . 1.4 mm-40 -87.79 8.27 26.58 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.915 0.388 . . . . 0.0 110.798 -174.088 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.403 -0.808 . . . . 0.0 110.284 179.559 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.435 0 N-CA-C 111.525 -0.63 . . . . 0.0 111.525 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 15.6 t -118.17 85.75 2.4 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -107.24 146.44 31.44 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.204 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 10.8 m -121.89 112.06 17.86 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.646 -178.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . 0.758 ' HA ' HD23 ' A' ' 443' ' ' LEU . 9.6 mm100 -62.82 -35.84 81.24 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.088 0.471 . . . . 0.0 110.399 175.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -66.73 -8.58 29.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.898 175.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.86 -63.17 5.01 Favored Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.609 HD13 HD11 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -74.63 -30.66 25.44 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.674 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 177.296 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . 0.865 ' HE2' ' HA ' ' A' ' 399' ' ' LYS . 0.1 OUTLIER -58.26 -56.73 18.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.928 0.394 . . . . 0.0 111.427 -176.421 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -77.68 -33.47 53.28 Favored 'General case' 0 N--CA 1.446 -0.646 0 O-C-N 122.074 -0.391 . . . . 0.0 111.122 -177.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' GLU . . . . . 0.508 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 19.3 mm-40 -72.92 -30.37 63.85 Favored 'General case' 0 C--O 1.222 -0.372 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.499 178.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 402' ' ' ILE . . . . . 0.609 HD11 HD13 ' A' ' 398' ' ' ILE . 10.2 tt -69.68 -30.42 44.85 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.275 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 176.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.609 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 82.9 mtp180 -56.58 -46.93 80.51 Favored 'General case' 0 C--N 1.334 -0.107 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 171.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . 0.448 ' HD2' ' OE2' ' A' ' 401' ' ' GLU . 90.5 mtt180 -65.36 -54.49 28.04 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.293 176.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 405' ' ' GLN . . . . . 0.568 ' O ' ' HB2' ' A' ' 409' ' ' LEU . 47.6 mt-30 -62.6 -35.22 78.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.045 -174.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . 0.482 ' HG3' HG12 ' A' ' 402' ' ' ILE . 47.2 mt-10 -80.38 -25.3 39.21 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.817 175.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.609 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 9.4 t80 -62.67 -55.04 30.54 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 178.149 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . 0.549 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.7 pp -72.25 -26.69 62.1 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.829 177.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 409' ' ' LEU . . . . . 0.568 ' HB2' ' O ' ' A' ' 405' ' ' GLN . 18.0 tp -59.39 -46.23 89.25 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.073 0.463 . . . . 0.0 109.806 176.196 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -62.89 -43.49 98.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.485 177.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 50.4 m -61.68 -55.5 29.75 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.799 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.77 HD11 ' HB3' ' A' ' 429' ' ' LEU . 4.4 pp -66.89 -19.75 65.79 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 120.814 0.34 . . . . 0.0 111.177 -177.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . 0.415 ' N ' HD13 ' A' ' 412' ' ' LEU . 10.2 m170 -69.67 -43.5 72.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.907 0.384 . . . . 0.0 110.172 172.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -71.66 -21.76 61.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.438 177.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.77 -41.54 97.83 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.128 0.49 . . . . 0.0 110.351 170.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 86.9 mt -74.91 -29.12 60.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.433 -179.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -62.91 135.74 57.47 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.373 0.606 . . . . 0.0 110.909 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 109.38 7.98 27.56 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -172.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 75.56 35.73 45.86 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 121.119 -0.562 . . . . 0.0 111.724 -178.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 30.7 mm -95.01 117.68 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-O 120.997 0.427 . . . . 0.0 110.52 -176.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -87.91 77.53 8.48 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.137 0.494 . . . . 0.0 109.943 178.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -97.61 102.79 14.64 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 177.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -69.82 -34.59 73.9 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.576 -176.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 22.6 t -65.38 -45.25 84.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.098 -178.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.99 -34.32 77.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.033 178.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 426' ' ' GLU . . . . . 0.648 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 35.7 tt0 -73.28 -43.98 60.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.939 0.4 . . . . 0.0 110.517 -176.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -65.87 -26.03 67.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.085 0.469 . . . . 0.0 109.873 175.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -73.99 -43.35 58.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.418 -178.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . 0.77 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.5 pp -63.74 -36.59 84.38 Favored 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 120.414 -0.515 . . . . 0.0 110.739 -179.029 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 430' ' ' TRP . . . . . 0.518 ' N ' HD13 ' A' ' 429' ' ' LEU . 1.7 t90 -79.25 -25.71 42.54 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 121.056 0.455 . . . . 0.0 110.195 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.623 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 43.3 tt0 -66.14 -53.19 40.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.35 177.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.418 HG11 HD13 ' A' ' 408' ' ' LEU . 32.3 m -70.78 -32.91 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 CA-C-O 120.829 0.347 . . . . 0.0 110.822 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -64.82 -43.46 93.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.525 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 434' ' ' ARG . . . . . 0.623 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 32.4 ptt180 -67.65 -34.49 77.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.796 0.331 . . . . 0.0 110.537 -178.206 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 435' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 431' ' ' GLU . 82.6 mt -68.17 -53.6 28.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.01 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . 0.476 ' O ' ' HG2' ' A' ' 440' ' ' LYS . 3.8 pp -61.03 -38.41 86.04 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.261 -178.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 61.9 m -68.21 -47.05 68.91 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.231 -177.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -57.4 -48.15 79.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.97 0.414 . . . . 0.0 110.776 -178.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 47.6 tp -66.2 -50.29 64.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.711 -177.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 440' ' ' LYS . . . . . 0.533 ' HB3' HG13 ' A' ' 398' ' ' ILE . 21.3 ptmt -61.24 -32.3 72.1 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.699 0.285 . . . . 0.0 111.573 -174.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 441' ' ' ARG . . . . . 0.453 ' NH1' ' HG3' ' A' ' 445' ' ' GLU . 3.1 mmp_? -68.96 -56.95 6.24 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.822 -178.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -68.05 -21.3 65.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.796 0.332 . . . . 0.0 111.534 -177.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . 0.758 HD23 ' HA ' ' A' ' 395' ' ' GLN . 61.1 tp -85.36 -58.02 2.84 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.965 -176.001 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -74.19 -32.78 63.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.735 -172.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . 0.453 ' HG3' ' NH1' ' A' ' 441' ' ' ARG . 5.1 mm-40 -90.57 19.71 5.14 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.705 0.288 . . . . 0.0 111.21 -172.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.427 -0.797 . . . . 0.0 111.016 -179.958 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.666 0 N-CA-C 111.921 -0.472 . . . . 0.0 111.921 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 8.3 t -115.3 2.12 13.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.229 0.537 . . . . 0.0 110.206 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -87.48 11.48 14.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.77 -175.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 5.6 p -91.74 76.66 5.64 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -174.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 18.1 tp60 -67.06 -37.88 84.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.585 0.707 . . . . 0.0 109.401 174.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -68.1 -10.5 54.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.466 176.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.38 -59.86 8.29 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 176.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -31.53 52.94 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.711 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 176.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 399' ' ' LYS . 0.1 OUTLIER -60.62 -53.12 61.26 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.689 -179.824 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -65.49 -49.07 70.4 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.323 0.582 . . . . 0.0 109.953 176.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -57.74 -49.44 76.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.156 -178.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 402' ' ' ILE . . . . . . . . . . . . . 11.9 tt -62.82 -30.72 50.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.209 0.052 . . . . 0.0 111.092 -175.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.547 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 57.5 mtp180 -58.31 -47.61 83.13 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 174.172 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . 0.507 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 14.2 mmt180 -74.42 -41.27 61.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.583 -179.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 405' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -64.15 -48.34 76.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.933 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.49 -28.5 68.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.813 0.34 . . . . 0.0 110.332 177.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.547 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 1.9 t80 -66.06 -52.26 50.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.572 178.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . 0.629 HD12 HG13 ' A' ' 432' ' ' VAL . 2.5 pp -72.99 -32.5 65.2 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.857 179.733 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 409' ' ' LEU . . . . . 0.599 ' N ' HD11 ' A' ' 408' ' ' LEU . 6.9 tt -60.36 -49.0 79.33 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 175.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -54.19 -47.02 72.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.962 175.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 36.7 m -60.94 -58.42 8.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.259 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 4.3 pp -68.15 -20.44 64.89 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 120.884 0.373 . . . . 0.0 111.38 -179.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . 0.441 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 19.6 t-160 -66.9 -35.61 80.39 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 174.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -77.94 -23.62 48.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.821 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 415' ' ' ASP . . . . . 0.526 ' OD2' ' HA ' ' A' ' 412' ' ' LEU . 64.9 m-20 -65.58 -12.71 55.56 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.973 176.162 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.559 HD23 ' HB2' ' A' ' 425' ' ' LYS . 96.4 mt -84.73 8.33 17.44 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -176.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -160.93 -175.86 5.17 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.861 178.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 91.74 16.79 50.92 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -175.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 106.88 10.16 28.93 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.528 -177.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 40.4 mm -111.56 135.53 50.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.622 0.249 . . . . 0.0 110.587 -176.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . 0.617 ' HB3' ' HZ3' ' A' ' 421' ' ' LYS . 9.2 mtpm? -117.34 108.6 15.79 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.877 173.25 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . 0.475 ' OD2' ' HG2' ' A' ' 425' ' ' LYS . 18.5 t70 -143.99 140.92 29.87 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.547 -176.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 91.9 mt -110.57 -11.96 14.4 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.071 0.463 . . . . 0.0 110.625 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 424' ' ' SER . . . . . 0.503 ' O ' ' HG2' ' A' ' 428' ' ' ARG . 41.1 t -70.39 -44.57 67.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.329 -177.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . 0.559 ' HB2' HD23 ' A' ' 416' ' ' LEU . 68.0 mmtt -59.05 -30.17 67.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.532 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 426' ' ' GLU . . . . . 0.595 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 45.7 tt0 -71.05 -46.95 61.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.007 -178.377 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -59.37 -32.1 69.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.199 0.523 . . . . 0.0 110.307 173.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 428' ' ' ARG . . . . . 0.503 ' HG2' ' O ' ' A' ' 424' ' ' SER . 20.7 mmm180 -73.27 -46.31 50.6 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.085 -177.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.3 pp -62.91 -35.6 80.6 Favored 'General case' 0 CA--C 1.518 -0.288 0 C-N-CA 121.071 -0.252 . . . . 0.0 110.354 -178.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -75.06 -28.44 60.38 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.614 -178.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.693 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 5.6 tp10 -63.54 -53.26 54.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.215 0.531 . . . . 0.0 109.946 178.217 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.629 HG13 HD12 ' A' ' 408' ' ' LEU . 2.5 m -70.06 -34.18 58.34 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.57 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -62.9 -47.05 84.99 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 120.712 0.291 . . . . 0.0 110.318 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 434' ' ' ARG . . . . . 0.693 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 5.1 ptm180 -63.58 -36.61 84.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.1 -178.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 435' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 431' ' ' GLU . 73.7 mt -71.08 -57.56 7.33 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.569 -179.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . 0.447 HD11 ' N ' ' A' ' 437' ' ' THR . 4.5 pp -57.22 -34.99 69.12 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 117.642 0.201 . . . . 0.0 111.483 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 437' ' ' THR . . . . . 0.696 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 93.3 m -68.57 -55.19 12.47 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.791 178.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -63.49 -32.59 74.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.677 0.275 . . . . 0.0 111.226 -177.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.497 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 26.0 tp -63.21 -56.92 12.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.811 -177.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 440' ' ' LYS . . . . . 0.696 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 55.6 pttt -59.45 -35.6 74.36 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.11 0.481 . . . . 0.0 110.889 -179.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 441' ' ' ARG . . . . . 0.575 ' O ' ' HG2' ' A' ' 445' ' ' GLU . 51.6 mmm-85 -61.74 -60.0 4.33 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.954 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . 0.415 ' O ' ' HB1' ' A' ' 446' ' ' ALA . 34.9 mttm -71.92 -9.58 58.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.042 -0.527 . . . . 0.0 112.219 -174.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 74.3 mt -87.73 -26.23 23.04 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.731 0.301 . . . . 0.0 110.62 174.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -98.47 -49.98 4.46 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' A' ' 441' ' ' ARG . 12.3 pt-20 -100.14 21.51 12.77 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -171.221 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . 0.415 ' HB1' ' O ' ' A' ' 442' ' ' LYS . . . . . . . . 0 C--O 1.245 0.849 0 CA-C-O 118.406 -0.807 . . . . 0.0 110.398 176.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.635 0 N-CA-C 112.386 -0.286 . . . . 0.0 112.386 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 43.2 m -101.99 -2.54 29.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.831 0.348 . . . . 0.0 111.122 -176.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.2 113.39 26.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.307 0.575 . . . . 0.0 110.536 178.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 394' ' ' THR . . . . . 0.494 ' H ' HD23 ' A' ' 443' ' ' LEU . 1.8 p -123.21 90.86 3.36 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.353 178.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . 0.556 HE22 ' HB2' ' A' ' 444' ' ' ARG . 8.6 tp-100 -67.99 -31.89 71.9 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 177.015 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -66.53 -14.83 62.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.291 175.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.18 -60.75 6.77 Favored Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 178.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.536 HD12 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -71.09 -29.26 35.94 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.497 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 177.305 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . 0.562 ' O ' HG21 ' A' ' 402' ' ' ILE . 0.4 OUTLIER -54.26 -58.06 8.81 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.985 0.421 . . . . 0.0 111.465 179.31 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -71.23 -41.44 70.18 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.799 -177.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -64.19 -38.12 89.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.507 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 402' ' ' ILE . . . . . 0.562 HG21 ' O ' ' A' ' 399' ' ' LYS . 11.1 tt -68.34 -31.89 53.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -178.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.551 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 92.2 mtt180 -59.66 -45.04 93.23 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.284 -0.567 . . . . 0.0 110.098 173.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . 0.415 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 31.9 mmm180 -73.27 -42.11 62.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.013 -178.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 405' ' ' GLN . . . . . 0.469 ' NE2' ' HB3' ' A' ' 436' ' ' LEU . 29.2 mt-30 -70.82 -46.74 62.24 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.552 -177.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -64.21 -28.99 70.12 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.164 177.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.551 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.3 t80 -61.57 -55.35 31.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.999 176.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . 0.555 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.4 pp -73.62 -32.44 64.06 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.236 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 409' ' ' LEU . . . . . 0.47 ' N ' HD12 ' A' ' 408' ' ' LEU . 6.0 tt -60.81 -48.41 81.93 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.018 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -61.62 -42.38 98.8 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.076 177.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 52.8 m -61.42 -54.87 37.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 4.3 pp -69.22 -21.43 63.93 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.887 0.375 . . . . 0.0 111.142 -178.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . 0.469 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 13.6 t-160 -68.12 -27.32 66.36 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 173.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -79.08 -27.73 43.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.412 175.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 415' ' ' ASP . . . . . 0.415 ' OD2' ' HA ' ' A' ' 412' ' ' LEU . 10.2 m-20 -70.23 -2.78 14.3 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.73 178.371 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 86.1 mt -99.54 2.78 45.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.848 0.356 . . . . 0.0 110.582 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -130.89 164.35 25.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.438 -174.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 97.76 15.6 36.42 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.276 -178.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 98.28 2.35 57.91 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.028 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 44.1 mm -75.08 134.32 29.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.827 0.346 . . . . 0.0 111.059 -177.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -101.21 89.26 3.72 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 174.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -141.39 133.76 28.17 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.664 0.269 . . . . 0.0 110.838 -175.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 91.8 mt -115.86 -12.16 11.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.107 175.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 39.4 m -64.61 -44.73 89.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.051 -176.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . 0.523 ' CG ' ' HB2' ' A' ' 412' ' ' LEU . 2.9 mppt? -74.71 -20.51 59.82 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.048 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 426' ' ' GLU . . . . . 0.661 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 33.7 tt0 -76.26 -43.23 42.81 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.427 0.632 . . . . 0.0 109.496 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -65.27 -28.36 69.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.823 172.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 428' ' ' ARG . . . . . 0.478 ' O ' ' HB3' ' A' ' 431' ' ' GLU . 62.8 ttt180 -81.87 -35.24 29.49 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.724 -177.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . 0.661 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.4 pp -62.51 -33.59 75.2 Favored 'General case' 0 CA--C 1.515 -0.367 0 C-N-CA 119.912 -0.715 . . . . 0.0 109.228 174.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 430' ' ' TRP . . . . . 0.411 ' N ' HD12 ' A' ' 429' ' ' LEU . 1.7 t90 -76.31 -26.75 56.14 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.859 176.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.561 ' O ' HG13 ' A' ' 435' ' ' ILE . 35.3 tt0 -62.25 -62.46 1.75 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.574 177.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 428' ' ' ARG . 2.7 m -67.5 -25.97 34.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.618 -178.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . 0.548 ' HB2' ' O ' ' A' ' 429' ' ' LEU . 8.1 tt0 -64.59 -47.6 78.04 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.26 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 434' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 19.7 ptt180 -72.43 -23.51 61.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.674 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 435' ' ' ILE . . . . . 0.561 HG13 ' O ' ' A' ' 431' ' ' GLU . 74.1 mt -69.8 -57.34 8.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.537 176.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . 0.489 HD21 HG13 ' A' ' 402' ' ' ILE . 4.5 pp -60.87 -33.56 73.26 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-O 120.723 0.296 . . . . 0.0 110.801 179.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 437' ' ' THR . . . . . 0.76 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 81.6 m -70.6 -52.43 21.5 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.371 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -59.7 -37.25 78.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.002 0.429 . . . . 0.0 110.485 -178.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' A' ' 443' ' ' LEU . 48.8 tp -63.59 -59.21 4.92 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.813 178.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 440' ' ' LYS . . . . . 0.76 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 63.8 pttt -62.39 -28.04 69.5 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -174.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 441' ' ' ARG . . . . . 0.436 ' HA ' ' HG2' ' A' ' 445' ' ' GLU . 40.6 mmt180 -73.92 -50.63 19.22 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.14 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -76.88 -1.95 31.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.876 0.369 . . . . 0.0 111.145 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . 0.494 HD23 ' H ' ' A' ' 394' ' ' THR . 1.2 tm? -102.7 -53.03 2.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.773 179.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . 0.556 ' HB2' HE22 ' A' ' 395' ' ' GLN . 42.4 ttp180 -90.86 -32.15 16.16 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -173.08 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . 0.436 ' HG2' ' HA ' ' A' ' 441' ' ' ARG . 2.8 mm-40 -87.93 5.17 41.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.905 0.383 . . . . 0.0 110.98 -171.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.48 -0.771 . . . . 0.0 110.692 -179.783 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.532 0 N-CA-C 111.595 -0.602 . . . . 0.0 111.595 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 45.6 m -82.37 146.51 29.33 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 110.229 -0.285 . . . . 0.0 110.229 178.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . 0.495 ' HG2' HD23 ' A' ' 443' ' ' LEU . 1.2 tm-20 -79.66 128.6 33.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.11 0.481 . . . . 0.0 110.299 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 12.5 m -143.39 102.85 4.03 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.744 174.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -61.04 -31.41 71.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.627 175.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -71.35 -16.67 62.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.234 173.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -66.34 -61.91 5.05 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.594 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.499 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -63.62 -34.01 65.14 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.39 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . 0.456 ' HA ' ' HD3' ' A' ' 399' ' ' LYS . 12.6 tppt? -55.64 -52.69 62.97 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 120.918 0.389 . . . . 0.0 111.004 177.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -66.88 -48.12 69.76 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.186 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -63.68 -39.01 93.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.115 -176.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 402' ' ' ILE . . . . . 0.434 HG13 ' HB2' ' A' ' 436' ' ' LEU . 14.2 tt -70.05 -35.46 64.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 C-N-CA 121.355 -0.138 . . . . 0.0 110.85 -176.402 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.612 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 74.6 mtt180 -62.8 -41.03 99.11 Favored 'General case' 0 CA--C 1.517 -0.323 0 C-N-CA 120.63 -0.428 . . . . 0.0 109.896 175.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . 0.482 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 35.0 mmt180 -70.24 -49.17 52.7 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.558 178.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 405' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -69.29 -42.51 75.39 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-N 116.132 -0.485 . . . . 0.0 112.217 -175.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -71.22 -26.28 62.86 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 119.858 -0.737 . . . . 0.0 110.437 178.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.612 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 1.1 t80 -63.74 -56.5 15.15 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 174.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . 0.544 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.6 pp -68.59 -32.16 71.86 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.963 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 409' ' ' LEU . . . . . 0.511 ' N ' HD12 ' A' ' 408' ' ' LEU . 7.3 tt -59.18 -50.77 72.77 Favored 'General case' 0 C--O 1.225 -0.214 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 175.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 410' ' ' ASN . . . . . 0.513 ' C ' HD21 ' A' ' 410' ' ' ASN . 0.2 OUTLIER -58.16 -48.2 81.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.86 177.34 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 28.0 m -55.07 -60.81 2.86 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.218 178.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.811 ' HB2' ' HG2' ' A' ' 425' ' ' LYS . 4.5 pp -67.01 -23.8 65.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.791 0.329 . . . . 0.0 111.171 -176.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . 0.413 ' N ' HD12 ' A' ' 412' ' ' LEU . 16.7 t-160 -63.0 -34.57 77.85 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.165 0.507 . . . . 0.0 109.978 174.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -78.34 -23.63 46.88 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.409 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -79.11 7.4 7.54 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.27 177.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.469 HD23 ' HB2' ' A' ' 425' ' ' LYS . 96.9 mt -108.68 -1.06 19.76 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -178.101 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -138.18 168.0 20.65 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.085 -177.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 100.28 13.69 35.29 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.02 -178.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 100.25 30.33 6.35 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.574 -0.822 . . . . 0.0 111.645 -178.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 48.8 mm -109.49 127.7 66.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.788 0.327 . . . . 0.0 110.815 -177.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -93.47 83.43 4.53 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 175.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -134.52 125.81 28.08 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.453 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.6 mp -113.16 -7.91 13.59 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.453 0.644 . . . . 0.0 109.379 176.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 22.9 t -66.93 -48.54 68.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.5 -177.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . 0.811 ' HG2' ' HB2' ' A' ' 412' ' ' LEU . 3.1 mppt? -76.45 -17.19 59.44 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.633 -179.018 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 426' ' ' GLU . . . . . 0.637 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 1.0 OUTLIER -62.49 -57.13 12.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.737 0.78 . . . . 0.0 109.289 173.848 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -66.13 -24.67 66.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.077 177.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 428' ' ' ARG . . . . . 0.525 ' HB3' ' HA ' ' A' ' 425' ' ' LYS . 12.8 tpt180 -74.99 -43.67 52.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.801 -177.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . 0.642 ' HB3' HD13 ' A' ' 412' ' ' LEU . 3.9 pp -61.2 -41.68 97.25 Favored 'General case' 0 CA--C 1.513 -0.456 0 C-N-CA 120.604 -0.438 . . . . 0.0 109.882 179.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 430' ' ' TRP . . . . . 0.401 ' N ' HD11 ' A' ' 429' ' ' LEU . 3.8 t90 -71.12 -28.8 64.57 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.381 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.671 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 39.8 tt0 -65.83 -53.44 40.04 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.409 179.329 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.403 HG22 HD11 ' A' ' 409' ' ' LEU . 13.0 m -70.21 -30.09 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.714 178.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -65.21 -46.07 82.18 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 434' ' ' ARG . . . . . 0.671 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 13.6 ptm180 -65.5 -29.09 69.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.242 -178.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 435' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 431' ' ' GLU . 79.2 mt -70.74 -59.49 3.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 121.22 -0.192 . . . . 0.0 110.687 177.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . 0.434 ' HB2' HG13 ' A' ' 402' ' ' ILE . 4.2 pp -58.38 -32.9 69.02 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.682 0.277 . . . . 0.0 110.874 -179.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 437' ' ' THR . . . . . 0.66 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 86.4 m -73.59 -54.08 9.01 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.461 179.306 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -63.95 -32.54 74.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.77 0.319 . . . . 0.0 110.679 -178.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.554 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 42.5 tp -61.65 -56.63 17.7 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.342 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 440' ' ' LYS . . . . . 0.66 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 51.4 pttt -63.23 -27.53 69.42 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.12 0.486 . . . . 0.0 111.143 179.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 441' ' ' ARG . . . . . 0.453 ' HG2' ' O ' ' A' ' 437' ' ' THR . 35.7 mmt180 -69.06 -53.26 21.31 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.973 178.125 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -72.24 -7.06 47.27 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.728 0.299 . . . . 0.0 111.578 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 56.0 mt -95.67 -17.93 20.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.346 175.13 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -118.17 -47.94 2.55 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -178.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -79.86 -1.87 41.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.617 -172.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.542 -0.742 . . . . 0.0 110.903 -177.824 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.45 0 N-CA-C 112.294 -0.322 . . . . 0.0 112.294 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 13.6 p -112.26 127.68 56.04 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 177.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 59.33 26.18 14.99 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.932 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 1.9 p -88.54 83.01 6.81 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.876 -178.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -70.01 -41.86 73.77 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.529 0.68 . . . . 0.0 109.343 176.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -69.3 -14.89 63.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.978 176.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.04 -57.84 15.43 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.485 177.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.512 HD12 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -64.37 -37.5 80.13 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.573 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.28 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . 0.669 ' O ' ' HG3' ' A' ' 403' ' ' ARG . 33.6 mmtp -57.92 -50.9 71.77 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.309 -178.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . 0.405 ' OE1' ' HD3' ' A' ' 403' ' ' ARG . 5.9 tp10 -66.01 -50.57 63.79 Favored 'General case' 0 C--O 1.244 0.805 0 CA-C-O 121.403 0.62 . . . . 0.0 110.576 178.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' GLU . . . . . 0.455 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 44.0 mt-10 -57.33 -50.69 72.15 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.913 -179.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 402' ' ' ILE . . . . . 0.513 ' HA ' ' HB2' ' A' ' 405' ' ' GLN . 11.5 tt -60.83 -28.99 44.4 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.225 0 N-CA-C 111.355 0.132 . . . . 0.0 111.355 -175.161 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.669 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 56.5 mtp180 -58.89 -52.65 64.83 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 173.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . 0.463 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 29.9 mmm180 -73.79 -38.98 64.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.229 -178.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 405' ' ' GLN . . . . . 0.513 ' HB2' ' HA ' ' A' ' 402' ' ' ILE . 97.7 mt-30 -60.11 -55.76 29.96 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.548 177.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -60.9 -30.37 70.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.949 0.404 . . . . 0.0 110.285 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.448 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 1.9 t80 -63.03 -53.33 55.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.182 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . 0.535 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.0 pp -75.62 -29.86 59.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 409' ' ' LEU . . . . . 0.502 ' N ' HD13 ' A' ' 408' ' ' LEU . 6.6 tt -61.17 -46.65 89.65 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 176.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -57.72 -40.65 80.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.586 176.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 411' ' ' SER . . . . . 0.591 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 30.1 m -65.66 -55.12 19.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.361 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.608 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 3.8 pp -69.44 -19.8 63.78 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 120.294 -0.563 . . . . 0.0 110.752 -179.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -72.72 -39.12 67.19 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.409 173.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 414' ' ' ARG . . . . . 0.591 ' HG2' ' O ' ' A' ' 411' ' ' SER . 20.2 ptt180 -76.31 -8.77 57.81 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.567 -179.197 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -63.28 -25.37 68.28 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 167.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 31.0 mt -91.79 38.52 0.99 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.802 -175.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . 0.575 ' HG3' ' O ' ' A' ' 414' ' ' ARG . 56.7 mt-30 -54.96 149.6 11.45 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.559 0.218 . . . . 0.0 111.002 176.3 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -54.75 108.1 0.86 Allowed Glycine 0 N--CA 1.453 -0.217 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.858 -178.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 118.68 -13.08 11.89 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 121.075 -0.583 . . . . 0.0 112.145 -177.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 46.0 mm -92.92 116.93 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.941 0.4 . . . . 0.0 110.659 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -91.17 84.93 5.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.002 0.429 . . . . 0.0 110.526 178.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -125.82 123.38 38.6 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.455 176.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . 0.408 HD13 ' N ' ' A' ' 423' ' ' LEU . 5.7 mp -102.31 -16.07 16.39 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.235 0.54 . . . . 0.0 109.741 -178.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 20.0 t -68.01 -51.81 42.76 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.676 -175.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . 0.608 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 0.0 OUTLIER -74.88 -18.17 60.46 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.438 -177.522 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 426' ' ' GLU . . . . . 0.697 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 34.9 tt0 -72.44 -53.58 11.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.09 0.471 . . . . 0.0 110.242 178.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -65.31 -25.48 67.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.156 0.503 . . . . 0.0 110.396 176.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 8.9 ttm180 -78.79 -39.66 35.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.1 -177.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . 0.697 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.3 pp -61.18 -34.85 75.73 Favored 'General case' 0 CA--C 1.514 -0.44 0 C-N-CA 120.358 -0.537 . . . . 0.0 109.68 175.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.1 t90 -71.16 -32.71 69.26 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 120.604 -0.439 . . . . 0.0 110.719 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.616 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 42.6 tt0 -61.34 -55.04 36.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.375 178.079 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.426 HG11 HD13 ' A' ' 409' ' ' LEU . 7.5 p -68.64 -30.79 48.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.584 179.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -64.69 -48.43 74.73 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 120.983 0.421 . . . . 0.0 110.256 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 434' ' ' ARG . . . . . 0.616 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 3.9 ptm180 -64.64 -30.05 71.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.11 -177.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 435' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 431' ' ' GLU . 86.2 mt -68.29 -59.07 4.08 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.216 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.652 176.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . 0.435 ' O ' ' HG2' ' A' ' 440' ' ' LYS . 4.5 pp -60.13 -30.04 69.03 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.895 0.379 . . . . 0.0 111.053 -178.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 437' ' ' THR . . . . . 0.454 ' HA ' ' HZ3' ' A' ' 440' ' ' LYS . 90.5 m -67.43 -59.6 3.25 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.651 176.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -64.16 -29.69 70.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.911 0.386 . . . . 0.0 111.029 -178.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.416 ' HG ' ' HB ' ' A' ' 398' ' ' ILE . 21.5 tp -64.14 -61.41 2.27 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 -177.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 440' ' ' LYS . . . . . 0.512 ' HB3' HD12 ' A' ' 398' ' ' ILE . 24.1 pttm -63.95 -30.35 71.44 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.425 -176.231 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 441' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' A' ' 437' ' ' THR . 30.7 mmm180 -70.13 -58.04 4.25 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.43 178.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -67.58 -15.1 63.48 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -177.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 439' ' ' LEU . 3.8 mm? -91.46 -24.62 19.63 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.214 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -111.39 -26.92 8.86 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 119.556 -0.858 . . . . 0.0 111.997 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -84.65 -2.42 57.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.781 0.324 . . . . 0.0 111.155 -178.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.867 0 CA-C-O 118.388 -0.815 . . . . 0.0 110.323 179.073 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.869 0 N-CA-C 111.676 -0.57 . . . . 0.0 111.676 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 26.6 t -63.32 -51.84 64.35 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -96.47 92.1 6.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.392 0.615 . . . . 0.0 110.348 176.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 1.5 m -153.21 81.84 1.19 Allowed 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.898 171.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -62.14 -33.62 74.84 Favored 'General case' 0 C--O 1.241 0.645 0 CA-C-O 122.059 0.933 . . . . 0.0 108.601 173.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . 0.644 ' HA ' ' HB2' ' A' ' 399' ' ' LYS . . . -63.65 -8.12 9.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.877 173.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.4 -63.51 4.8 Favored Glycine 0 N--CA 1.443 -0.893 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.559 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -71.46 -28.04 30.54 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.594 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.245 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . 0.644 ' HB2' ' HA ' ' A' ' 396' ' ' ALA . 2.7 mptp? -60.63 -52.3 65.73 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.275 178.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -64.81 -50.14 67.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.186 0.517 . . . . 0.0 110.021 176.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' GLU . . . . . 0.463 ' HB3' HE21 ' A' ' 405' ' ' GLN . 41.8 mt-10 -61.8 -38.19 87.19 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.886 -175.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 402' ' ' ILE . . . . . 0.428 HD13 HD12 ' A' ' 398' ' ' ILE . 12.6 tt -68.63 -35.43 70.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 118.217 0.462 . . . . 0.0 110.498 -177.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.6 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 70.8 mtp180 -63.36 -44.93 93.4 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.006 -0.677 . . . . 0.0 109.796 174.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . 0.458 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 75.7 mtp180 -66.3 -50.45 63.62 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.113 178.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 405' ' ' GLN . . . . . 0.463 HE21 ' HB3' ' A' ' 401' ' ' GLU . 47.3 mt-30 -67.39 -49.8 62.37 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 116.002 -0.544 . . . . 0.0 112.279 -176.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -63.41 -27.2 69.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 118.255 0.479 . . . . 0.0 110.418 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.6 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.9 t80 -65.12 -55.15 20.35 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.901 176.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . 0.496 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.6 pp -72.28 -27.02 62.21 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.8 179.255 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 409' ' ' LEU . . . . . 0.481 ' N ' HD11 ' A' ' 408' ' ' LEU . 14.7 tp -63.81 -47.82 79.34 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 176.199 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -55.54 -41.53 73.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.372 173.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 411' ' ' SER . . . . . 0.63 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 24.5 m -63.38 -59.57 4.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.182 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.582 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 4.0 pp -66.53 -19.38 65.77 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.789 -177.122 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -68.02 -37.83 81.86 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.801 0.334 . . . . 0.0 110.605 172.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 414' ' ' ARG . . . . . 0.63 ' HG2' ' O ' ' A' ' 411' ' ' SER . 5.3 ptp180 -78.17 -13.67 59.77 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 177.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -79.43 -8.21 58.95 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.527 173.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 95.9 mt -99.65 -52.9 3.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.613 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 25.4 pt20 -73.98 150.95 40.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.075 -178.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 112.43 9.11 20.27 Favored Glycine 0 N--CA 1.446 -0.65 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.788 -177.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 87.49 27.35 27.6 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.993 -0.623 . . . . 0.0 111.814 -178.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 37.9 mm -94.85 137.85 22.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.94 0.4 . . . . 0.0 110.814 -176.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -105.06 99.86 9.47 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.847 175.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . 0.597 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 11.6 t70 -135.98 142.42 44.53 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 178.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 74.5 mt -109.67 -29.67 8.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.129 0.49 . . . . 0.0 110.636 -178.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 50.4 m -68.58 -44.61 74.03 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.136 -175.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . 0.597 ' HD3' ' OD1' ' A' ' 422' ' ' ASP . 9.6 mptt -60.99 -34.91 75.52 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.062 0.458 . . . . 0.0 110.811 -179.512 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 426' ' ' GLU . . . . . 0.527 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 11.6 tp10 -64.45 -58.46 6.37 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.233 -177.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -65.63 -24.7 67.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.95 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -73.08 -44.04 61.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.271 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 3.0 pp -66.09 -37.05 84.82 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.588 -175.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -73.58 -33.49 64.66 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.18 0.514 . . . . 0.0 110.008 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.491 ' O ' HG13 ' A' ' 435' ' ' ILE . 41.8 tt0 -61.22 -52.48 64.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.631 174.09 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.41 ' CG1' ' HB3' ' A' ' 405' ' ' GLN . 71.0 t -56.79 -50.31 75.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.315 177.19 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -59.21 -43.59 92.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.845 -176.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 434' ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 13.0 ptt180 -71.37 -25.06 62.21 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.156 -175.267 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 435' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 431' ' ' GLU . 76.9 mt -74.91 -53.96 15.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-O 120.536 0.208 . . . . 0.0 111.094 178.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . . . . . . . . . 4.3 pp -61.86 -34.25 75.65 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.603 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 85.9 m -72.34 -44.93 61.93 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.031 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.23 -44.54 95.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.975 0.417 . . . . 0.0 110.719 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.479 HD23 ' HB ' ' A' ' 398' ' ' ILE . 42.5 tp -61.99 -57.89 9.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.607 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 440' ' ' LYS . . . . . 0.559 ' HB3' HG13 ' A' ' 398' ' ' ILE . 20.6 ptmt -59.22 -38.4 79.86 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.928 0.394 . . . . 0.0 111.56 -174.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 441' ' ' ARG . . . . . 0.424 ' CZ ' ' HG3' ' A' ' 445' ' ' GLU . 21.0 mmm180 -72.63 -42.01 64.9 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.588 -176.167 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -85.28 -6.34 59.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.574 0.226 . . . . 0.0 111.491 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 57.1 tp -95.25 -42.28 8.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.627 0.251 . . . . 0.0 110.792 178.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 41.3 ttt-85 -103.75 -46.81 4.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.829 -174.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . 0.424 ' HG3' ' CZ ' ' A' ' 441' ' ' ARG . 36.3 mm-40 -84.5 -6.18 59.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.801 0.334 . . . . 0.0 111.396 -171.334 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.927 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.923 -177.663 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.749 0 N-CA-C 111.504 -0.638 . . . . 0.0 111.504 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 25.6 m -109.06 -23.63 11.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.625 0.25 . . . . 0.0 111.22 -178.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -90.77 91.19 8.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.993 0.425 . . . . 0.0 110.588 -174.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -87.62 96.07 10.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.937 0.399 . . . . 0.0 111.147 -178.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -69.95 -32.06 70.13 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 174.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -67.87 -11.62 59.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.405 174.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.95 -58.76 11.39 Favored Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.381 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.509 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -69.41 -31.04 47.84 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.501 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 177.68 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . 0.888 ' HA ' ' HE3' ' A' ' 399' ' ' LYS . 0.3 OUTLIER -54.37 -62.98 1.3 Allowed 'General case' 0 C--O 1.236 0.366 0 CA-C-O 120.896 0.379 . . . . 0.0 111.815 -179.531 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . 0.503 ' OE1' ' HD2' ' A' ' 403' ' ' ARG . 6.2 tp10 -67.96 -43.28 79.39 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.156 0.503 . . . . 0.0 110.317 -175.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' GLU . . . . . 0.493 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 51.9 mm-40 -61.66 -43.76 98.24 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.148 -179.455 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 402' ' ' ILE . . . . . 0.54 HG23 ' O ' ' A' ' 399' ' ' LYS . 11.5 tt -63.42 -31.29 52.32 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.219 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.689 -176.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.511 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 84.8 mtt180 -58.67 -49.47 77.44 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.182 0.515 . . . . 0.0 109.833 173.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 30.3 mmm180 -71.45 -40.8 70.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.982 -178.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 405' ' ' GLN . . . . . 0.644 ' NE2' ' HB3' ' A' ' 436' ' ' LEU . 26.8 mt-30 -67.5 -49.32 64.01 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.508 -178.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -62.69 -30.11 71.15 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.098 0.475 . . . . 0.0 109.801 176.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.511 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.3 t80 -60.84 -54.09 49.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.72 177.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . 0.524 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.5 pp -73.32 -29.36 62.63 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.182 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 409' ' ' LEU . . . . . 0.467 ' N ' HD13 ' A' ' 408' ' ' LEU . 7.1 tt -62.91 -46.75 86.34 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.114 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -60.25 -41.19 92.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.34 0.591 . . . . 0.0 109.955 177.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 30.6 t -64.77 -56.37 14.0 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.22 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 4.3 pp -67.72 -19.26 65.13 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.549 -0.46 . . . . 0.0 111.047 -179.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . 0.455 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 17.2 t-160 -66.69 -42.28 86.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.048 175.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -79.77 -12.47 59.78 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.001 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -66.72 -18.07 65.18 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.927 0.394 . . . . 0.0 111.383 173.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.441 HD23 ' HB2' ' A' ' 425' ' ' LYS . 68.8 mt -81.48 -34.24 31.45 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.684 178.389 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -89.25 163.92 15.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.36 -177.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 104.2 21.31 9.54 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.555 179.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 86.7 19.46 56.33 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.314 -178.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 41.1 mm -95.5 139.28 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.909 0.385 . . . . 0.0 110.23 -176.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . 0.501 ' HD2' ' N ' ' A' ' 421' ' ' LYS . 9.4 mptt -109.5 65.21 0.61 Allowed 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.398 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . 0.474 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 11.2 t70 -110.38 137.6 47.89 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.426 -176.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . 0.435 HD13 ' N ' ' A' ' 423' ' ' LEU . 5.3 mp -114.6 -22.65 9.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.081 0.467 . . . . 0.0 110.481 178.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 58.2 p -63.37 -45.69 89.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.702 -174.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . 0.474 ' HD3' ' OD1' ' A' ' 422' ' ' ASP . 13.5 mptt -66.48 -26.22 67.08 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.739 0.304 . . . . 0.0 110.978 -177.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 426' ' ' GLU . . . . . 0.676 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 41.2 tt0 -71.73 -44.16 64.62 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.319 0.581 . . . . 0.0 109.715 -178.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -69.55 -22.99 63.51 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.906 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -77.62 -42.87 33.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.075 179.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . 0.676 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.6 pp -61.32 -32.41 72.28 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 177.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 430' ' ' TRP . . . . . 0.412 ' N ' HD12 ' A' ' 429' ' ' LEU . 1.8 t90 -78.67 -33.94 46.68 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.366 177.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.585 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 32.1 tt0 -59.38 -58.5 8.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.326 176.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.432 HG12 HD13 ' A' ' 409' ' ' LEU . 10.1 p -66.22 -30.44 49.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.813 -178.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . 0.527 ' HB2' ' O ' ' A' ' 429' ' ' LEU . 8.5 tt0 -64.82 -48.19 75.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.103 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 434' ' ' ARG . . . . . 0.585 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 5.2 ptm180 -67.41 -30.8 70.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.483 -176.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 435' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 431' ' ' GLU . 87.2 mt -69.5 -52.48 32.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.852 179.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . 0.644 ' HB3' ' NE2' ' A' ' 405' ' ' GLN . 4.5 pp -63.94 -33.06 74.85 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.797 0.332 . . . . 0.0 110.431 -179.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 437' ' ' THR . . . . . 0.818 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 74.0 m -70.23 -54.02 14.53 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.035 178.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.06 -37.48 79.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.638 0.256 . . . . 0.0 111.093 -176.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.459 ' O ' ' HB2' ' A' ' 443' ' ' LEU . 47.2 tp -65.12 -56.69 11.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.892 -179.511 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 440' ' ' LYS . . . . . 0.818 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 62.5 pttt -61.36 -31.78 71.67 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.748 0.308 . . . . 0.0 110.917 -177.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 441' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 437' ' ' THR . 35.7 mmt180 -64.96 -61.78 1.95 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.464 177.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . 0.767 ' HA ' ' HA ' ' A' ' 446' ' ' ALA . 4.7 mptp? -79.67 7.91 7.56 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -175.001 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . 0.459 ' HB2' ' O ' ' A' ' 439' ' ' LEU . 0.5 OUTLIER -92.88 -43.05 9.17 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 171.759 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -96.03 -49.86 5.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.361 0.6 . . . . 0.0 111.19 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -120.1 56.5 0.96 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.154 -174.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . 0.767 ' HA ' ' HA ' ' A' ' 442' ' ' LYS . . . . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.355 -0.831 . . . . 0.0 112.292 -178.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.501 0 N-CA-C 111.749 -0.54 . . . . 0.0 111.749 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 19.7 m -112.46 6.37 18.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.324 0.583 . . . . 0.0 109.967 177.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . 0.44 ' CD ' ' H ' ' A' ' 393' ' ' GLU . 1.4 pm0 -81.11 173.38 12.63 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.021 -177.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 6.1 p -122.09 101.01 7.27 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.756 -176.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -70.26 -26.16 63.7 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 173.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -71.39 -11.83 61.1 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.929 173.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.55 -57.18 11.82 Favored Glycine 0 N--CA 1.446 -0.694 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.551 177.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.734 HD13 HD11 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -69.0 -32.56 54.96 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.508 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 176.719 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . 0.826 ' HA ' ' HE3' ' A' ' 399' ' ' LYS . 0.1 OUTLIER -57.21 -48.32 79.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.74 0.305 . . . . 0.0 110.321 177.059 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -65.28 -53.03 50.21 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.385 0.612 . . . . 0.0 110.716 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -61.55 -35.7 78.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.248 -178.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 402' ' ' ILE . . . . . 0.734 HD11 HD13 ' A' ' 398' ' ' ILE . 0.5 OUTLIER -67.62 -30.98 50.51 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.527 0 CA-C-N 116.818 -0.174 . . . . 0.0 110.765 179.601 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.578 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 58.1 mtp180 -60.15 -45.2 93.87 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 174.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 -68.52 -47.27 67.38 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.695 178.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 405' ' ' GLN . . . . . 0.563 ' NE2' ' HB3' ' A' ' 436' ' ' LEU . 28.6 mt-30 -70.11 -46.52 64.65 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.357 0.502 . . . . 0.0 112.357 -176.124 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . 0.468 ' HG2' HG12 ' A' ' 402' ' ' ILE . 35.1 mm-40 -63.85 -32.67 74.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 118.077 0.398 . . . . 0.0 110.377 178.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.552 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.0 t80 -60.67 -52.5 64.87 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.04 178.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . 0.611 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.8 pp -75.18 -27.36 59.61 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.968 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 409' ' ' LEU . . . . . 0.504 HD12 HD11 ' A' ' 412' ' ' LEU . 26.3 tp -62.94 -44.19 96.75 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 175.465 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -62.0 -41.13 97.72 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.332 174.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 41.7 m -65.29 -50.88 64.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.337 -178.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.745 HD12 ' HB3' ' A' ' 429' ' ' LEU . 3.7 pp -69.36 -21.83 63.78 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.597 179.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . 0.492 ' N ' HD13 ' A' ' 412' ' ' LEU . 9.5 m170 -73.15 -39.23 65.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.78 0.324 . . . . 0.0 110.707 174.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -81.96 -2.22 50.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.476 0.655 . . . . 0.0 109.736 175.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -89.35 -29.99 18.72 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.256 -0.883 . . . . 0.0 109.381 173.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.404 HD21 ' HB2' ' A' ' 425' ' ' LYS . 37.5 mt -87.62 36.3 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.366 178.169 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -54.55 146.77 15.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.409 173.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -57.04 100.71 0.13 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 121.145 -0.55 . . . . 0.0 112.391 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 131.49 -15.58 5.22 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.265 -178.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 50.1 mm -83.51 120.93 35.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.848 0.356 . . . . 0.0 110.499 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -86.39 77.76 9.41 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.165 178.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -133.51 125.36 28.75 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 177.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -104.85 -26.82 12.07 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.994 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 27.5 p -62.98 -39.47 94.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.122 -177.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . 0.404 ' HB2' HD21 ' A' ' 416' ' ' LEU . 0.2 OUTLIER -65.79 -24.9 67.03 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.842 0.353 . . . . 0.0 110.972 179.554 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 426' ' ' GLU . . . . . 0.745 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 39.7 tt0 -79.8 -48.94 12.74 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.353 0.597 . . . . 0.0 109.977 -177.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -67.57 -27.81 67.25 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.196 0.522 . . . . 0.0 110.004 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 428' ' ' ARG . . . . . 0.419 ' O ' ' HB3' ' A' ' 431' ' ' GLU . 49.1 mtp180 -80.77 -30.68 36.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.761 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . 0.745 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.4 pp -67.66 -35.48 78.94 Favored 'General case' 0 CA--C 1.51 -0.586 0 C-N-CA 119.779 -0.768 . . . . 0.0 109.501 176.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -74.69 -28.5 60.85 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.878 178.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.566 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 32.4 tt0 -58.78 -62.84 1.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.87 176.039 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 34.3 m -67.56 -28.69 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 C-N-CA 121.056 -0.258 . . . . 0.0 111.212 -178.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -65.78 -44.41 85.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.387 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 434' ' ' ARG . . . . . 0.566 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 13.5 ptm180 -70.13 -32.54 70.6 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.291 179.281 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 435' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 431' ' ' GLU . 80.3 mt -67.56 -53.93 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.955 178.134 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . 0.563 ' HB3' ' NE2' ' A' ' 405' ' ' GLN . 4.5 pp -62.25 -33.14 74.03 Favored 'General case' 0 CA--C 1.523 -0.089 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.891 -178.035 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 437' ' ' THR . . . . . 0.672 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 85.8 m -68.25 -54.78 15.3 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.743 177.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.88 -40.54 93.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.133 -177.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.425 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 34.7 tp -61.8 -56.29 21.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.437 -176.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 440' ' ' LYS . . . . . 0.672 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 51.8 pttt -62.01 -32.2 72.65 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.944 0.402 . . . . 0.0 111.346 -176.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 441' ' ' ARG . . . . . 0.407 ' HE ' ' HA ' ' A' ' 441' ' ' ARG . 1.5 mmp_? -77.73 -40.75 40.05 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -178.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -75.49 -15.3 60.42 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -178.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 87.4 mt -88.89 -42.77 11.64 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.893 0.378 . . . . 0.0 110.889 176.219 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -90.87 -41.9 10.93 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.253 -0.431 . . . . 0.0 112.107 -173.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -90.75 24.47 2.7 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.816 0.341 . . . . 0.0 110.986 -174.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.929 0 CA-C-O 118.469 -0.777 . . . . 0.0 110.33 179.617 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.543 0 N-CA-C 112.051 -0.42 . . . . 0.0 112.051 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 52.3 m 59.95 -166.51 0.19 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 122.945 0.498 . . . . 0.0 112.03 178.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -64.44 118.22 8.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.853 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -141.93 87.02 2.02 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.624 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . 0.445 ' O ' ' HD3' ' A' ' 399' ' ' LYS . 18.1 mm-40 -60.7 -36.6 79.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.833 0.349 . . . . 0.0 110.202 174.207 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -65.62 -14.51 61.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.828 177.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.03 -63.61 4.26 Favored Glycine 0 N--CA 1.441 -0.985 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.515 HD13 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -72.67 -33.27 44.0 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.806 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 178.686 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . 0.455 ' O ' HG22 ' A' ' 402' ' ' ILE . 3.0 mptp? -57.75 -54.46 46.64 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -178.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -70.65 -44.95 66.07 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.813 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' GLU . . . . . 0.568 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 33.7 mt-10 -63.7 -40.7 97.44 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 111.671 0.249 . . . . 0.0 111.671 -179.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 402' ' ' ILE . . . . . 0.515 HD12 HD13 ' A' ' 398' ' ' ILE . 10.5 tt -64.9 -33.25 62.3 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.531 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 -178.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.613 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 96.4 mtt180 -61.89 -39.47 92.08 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 120.716 -0.393 . . . . 0.0 109.99 174.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . 0.463 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 13.4 mmt180 -72.25 -43.59 64.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.799 176.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 405' ' ' GLN . . . . . 0.568 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 46.3 mt-30 -66.67 -48.84 68.08 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.486 -177.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . 0.427 ' HG2' HG12 ' A' ' 402' ' ' ILE . 7.2 mm-40 -63.05 -30.72 71.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.972 0.415 . . . . 0.0 110.105 176.356 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.613 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 5.4 t80 -61.81 -55.73 26.9 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.983 178.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . 0.612 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.0 pp -73.89 -25.91 60.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.395 179.327 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 409' ' ' LEU . . . . . 0.585 HD13 HD11 ' A' ' 412' ' ' LEU . 23.7 tp -64.95 -43.98 90.95 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 175.333 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -60.45 -41.99 95.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.767 174.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 35.5 t -62.68 -52.46 63.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.249 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.664 HD12 ' HB3' ' A' ' 429' ' ' LEU . 3.4 pp -71.37 -21.55 62.01 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.376 -0.529 . . . . 0.0 111.266 -178.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . 0.503 ' N ' HD13 ' A' ' 412' ' ' LEU . 5.4 m170 -73.89 -40.28 63.3 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.346 174.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 414' ' ' ARG . . . . . 0.446 ' O ' ' HG3' ' A' ' 417' ' ' GLN . 13.8 ptp180 -76.23 -7.98 56.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.347 0.594 . . . . 0.0 109.571 175.248 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -84.87 -21.56 29.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.735 174.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' A' ' 412' ' ' LEU . 88.1 mt -96.22 30.36 2.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.403 -176.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' A' ' 414' ' ' ARG . 50.7 mt-30 -56.26 145.32 27.08 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.721 -0.218 . . . . 0.0 110.421 176.627 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -53.3 109.24 0.96 Allowed Glycine 0 C--N 1.331 0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.665 -178.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 124.1 -23.3 6.55 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 121.199 -0.524 . . . . 0.0 111.941 -177.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 43.7 mm -82.59 126.05 39.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 178.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -103.24 73.04 1.19 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.962 0.41 . . . . 0.0 111.174 -176.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . 0.457 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 9.9 t0 -119.41 108.18 14.25 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 174.303 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -88.35 -19.12 27.08 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.082 -177.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 19.1 m -67.98 -43.75 78.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.035 0.445 . . . . 0.0 110.007 -178.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . 0.457 ' HD3' ' OD1' ' A' ' 422' ' ' ASP . 0.2 OUTLIER -61.58 -26.91 68.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.522 179.371 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 426' ' ' GLU . . . . . 0.697 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 34.8 tt0 -77.11 -53.52 7.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.188 0.518 . . . . 0.0 110.497 -175.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -63.25 -34.05 76.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.212 0.529 . . . . 0.0 110.235 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 428' ' ' ARG . . . . . 0.452 ' O ' HG22 ' A' ' 432' ' ' VAL . 11.0 mmt180 -70.24 -39.62 74.92 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.032 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . 0.697 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 3.2 pp -62.23 -38.28 88.63 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 120.124 -0.63 . . . . 0.0 110.072 -178.025 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.4 t90 -70.81 -35.9 72.72 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.858 -177.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.589 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 20.4 tp10 -67.99 -41.66 81.95 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 177.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.452 HG22 ' O ' ' A' ' 428' ' ' ARG . 72.3 t -61.9 -48.86 86.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.716 175.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -61.68 -45.36 94.35 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.333 -177.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 434' ' ' ARG . . . . . 0.589 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 9.2 ptm180 -65.96 -28.72 69.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.621 -176.089 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 435' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 431' ' ' GLU . 70.5 mt -74.79 -57.77 5.9 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.254 0 CA-C-N 116.874 -0.148 . . . . 0.0 111.159 178.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . 0.459 HD11 ' N ' ' A' ' 437' ' ' THR . 4.1 pp -57.96 -37.67 74.6 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.737 0.303 . . . . 0.0 110.918 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 437' ' ' THR . . . . . 0.488 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 88.6 m -68.09 -59.49 3.2 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.738 178.141 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.34 -38.15 82.89 Favored 'General case' 0 CA--C 1.52 -0.209 0 C-N-CA 121.235 -0.186 . . . . 0.0 111.027 -175.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 46.5 tp -58.78 -58.5 8.35 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.868 -177.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 440' ' ' LYS . . . . . 0.488 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 58.5 pttt -61.63 -28.31 69.28 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.901 0.381 . . . . 0.0 111.069 -177.129 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 441' ' ' ARG . . . . . 0.592 ' HD3' ' OE1' ' A' ' 445' ' ' GLU . 14.3 mmt180 -72.47 -53.03 13.29 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.869 179.303 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . 0.442 ' HA ' ' HB3' ' A' ' 446' ' ' ALA . 7.7 ptmm? -76.96 -12.05 59.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.986 0.422 . . . . 0.0 111.234 -177.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 44.8 tp -88.02 -48.82 7.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.018 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 38.8 ttt180 -110.34 -31.04 7.43 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -172.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . 0.592 ' OE1' ' HD3' ' A' ' 441' ' ' ARG . 11.9 mt-10 -99.22 12.25 36.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.838 0.351 . . . . 0.0 111.145 -174.117 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . 0.442 ' HB3' ' HA ' ' A' ' 442' ' ' LYS . . . . . . . . 0 C--O 1.245 0.82 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.676 -178.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.652 0 N-CA-C 111.684 -0.566 . . . . 0.0 111.684 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 28.9 m -125.17 131.79 53.15 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -73.23 -70.31 0.37 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.756 0.312 . . . . 0.0 110.908 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 33.0 p 50.58 77.82 0.12 Allowed 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.33 -177.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -64.5 -34.71 78.86 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.406 0.622 . . . . 0.0 109.673 177.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . 0.445 ' HA ' ' HB2' ' A' ' 399' ' ' LYS . . . -70.04 -9.55 55.72 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.319 175.333 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.93 -56.4 21.11 Favored Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 111.124 -0.791 . . . . 0.0 111.124 176.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.572 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -67.52 -32.63 57.91 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.565 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 177.46 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . 0.445 ' HB2' ' HA ' ' A' ' 396' ' ' ALA . 32.4 mmtp -59.27 -46.19 89.2 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.482 177.53 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -72.94 -41.87 64.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.048 0.452 . . . . 0.0 110.217 178.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' GLU . . . . . 0.543 ' HB3' HE21 ' A' ' 405' ' ' GLN . 30.2 mm-40 -60.02 -48.83 80.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.452 177.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 402' ' ' ILE . . . . . . . . . . . . . 13.2 tt -66.53 -34.89 73.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.705 -0.225 . . . . 0.0 110.836 -174.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.592 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 95.8 mtt180 -59.02 -49.72 76.84 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 174.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . 0.599 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 41.9 mtm-85 -69.47 -49.27 56.44 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.199 -178.366 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 405' ' ' GLN . . . . . 0.56 ' O ' ' HB2' ' A' ' 409' ' ' LEU . 47.9 mt-30 -70.85 -33.39 70.59 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -172.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -82.01 -22.57 36.43 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 119.713 -0.795 . . . . 0.0 110.603 177.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.592 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.8 t80 -67.54 -51.79 46.56 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 176.283 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 404' ' ' ARG . 2.0 pp -71.95 -30.51 65.38 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.738 177.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 409' ' ' LEU . . . . . 0.56 ' HB2' ' O ' ' A' ' 405' ' ' GLN . 7.3 tt -58.53 -52.47 65.51 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 175.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -53.71 -43.83 69.34 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.856 177.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 411' ' ' SER . . . . . 0.635 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 20.9 m -64.73 -60.22 3.34 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.852 -179.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.712 HD11 ' HB3' ' A' ' 429' ' ' LEU . 4.4 pp -63.88 -24.2 67.65 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.057 0.456 . . . . 0.0 111.144 -177.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . 0.462 ' N ' HD13 ' A' ' 412' ' ' LEU . 12.6 t-80 -65.22 -41.35 94.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.773 176.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 414' ' ' ARG . . . . . 0.635 ' HG2' ' O ' ' A' ' 411' ' ' SER . 21.5 ptt180 -74.47 -21.07 59.76 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.158 -177.343 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -69.08 -15.41 63.44 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.317 173.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.606 HD22 ' HB2' ' A' ' 425' ' ' LYS . 93.3 mt -85.91 -12.28 51.0 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -177.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -128.16 174.74 8.99 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.781 -0.367 . . . . 0.0 111.223 -174.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 95.4 19.63 29.59 Favored Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 -177.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 98.72 11.75 46.12 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 121.142 -0.552 . . . . 0.0 111.799 -179.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 42.7 mm -96.8 139.41 19.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.754 0.311 . . . . 0.0 110.163 -178.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . 0.435 ' HD2' ' N ' ' A' ' 421' ' ' LYS . 9.9 mptt -114.48 79.34 1.25 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.094 0.473 . . . . 0.0 109.747 178.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -127.11 138.36 53.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.345 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 86.2 mt -117.57 1.13 12.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.19 175.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 1.9 m -69.65 -52.3 27.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.398 0.618 . . . . 0.0 109.888 -178.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . 0.606 ' HB2' HD22 ' A' ' 416' ' ' LEU . 12.8 mptt -66.61 -22.69 66.12 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.791 178.417 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 426' ' ' GLU . . . . . 0.638 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 39.4 tt0 -71.23 -46.63 60.67 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.43 -178.12 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -64.46 -28.88 69.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.208 0.528 . . . . 0.0 109.804 176.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -78.26 -39.8 39.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.816 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . 0.712 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.3 pp -62.35 -36.94 83.79 Favored 'General case' 0 CA--C 1.513 -0.473 0 C-N-CA 120.171 -0.612 . . . . 0.0 109.559 175.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 430' ' ' TRP . . . . . 0.465 ' N ' HD13 ' A' ' 429' ' ' LEU . 5.1 t90 -72.48 -29.22 63.46 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.542 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 16.2 tt0 -70.21 -49.26 52.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.343 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.512 ' HB ' ' HB3' ' A' ' 405' ' ' GLN . 14.2 m -67.52 -30.13 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 C-N-CA 120.804 -0.359 . . . . 0.0 110.266 178.092 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -67.83 -49.84 59.99 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.323 178.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 434' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 41.2 ptt180 -63.85 -23.04 67.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.812 -177.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 435' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 431' ' ' GLU . 84.2 mt -79.58 -55.15 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 121.215 -0.194 . . . . 0.0 111.099 175.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . . . . . . . . . 4.4 pp -64.05 -34.15 77.37 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.247 -177.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 437' ' ' THR . . . . . 0.54 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 91.2 m -76.21 -46.25 29.17 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 111.595 0.22 . . . . 0.0 111.595 179.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -64.44 -34.92 79.32 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.754 -177.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.401 HD23 ' HB ' ' A' ' 398' ' ' ILE . 31.3 tp -69.16 -52.04 32.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.818 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 440' ' ' LYS . . . . . 0.572 ' HB3' HG13 ' A' ' 398' ' ' ILE . 64.9 pttt -61.03 -35.88 78.06 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 120.822 0.344 . . . . 0.0 110.728 -177.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 39.9 mmt180 -71.39 -53.34 14.41 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.955 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -74.5 -8.0 54.87 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -177.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 35.3 tp -96.32 -43.98 7.44 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.275 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . 0.548 ' HD2' ' OE1' ' A' ' 445' ' ' GLU . 9.7 ttm180 -94.43 -48.65 6.04 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.282 -0.567 . . . . 0.0 111.239 -178.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . 0.548 ' OE1' ' HD2' ' A' ' 444' ' ' ARG . 3.7 mm-40 -80.03 -35.07 37.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.263 0.554 . . . . 0.0 109.703 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.095 0 CA-C-N 114.196 -1.365 . . . . 0.0 111.309 179.368 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.868 0 N-CA-C 112.201 -0.36 . . . . 0.0 112.201 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 11.9 p -131.67 5.61 4.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.091 0.472 . . . . 0.0 110.985 -179.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -95.24 51.16 1.3 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.984 -174.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 394' ' ' THR . . . . . 0.416 ' O ' HD13 ' A' ' 443' ' ' LEU . 1.3 m -70.39 96.15 1.11 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.817 -178.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . 0.448 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 3.2 mm-40 -62.4 -37.64 86.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.264 0.554 . . . . 0.0 109.521 175.037 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -65.43 -12.87 56.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.71 175.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.95 -62.3 5.84 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 111.236 -0.745 . . . . 0.0 111.236 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.536 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -69.13 -34.67 64.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.67 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.37 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . 0.601 ' O ' ' HG3' ' A' ' 403' ' ' ARG . 33.6 mmtp -58.0 -54.41 47.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.579 0.228 . . . . 0.0 111.236 -177.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -69.56 -42.28 74.78 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 120.809 0.338 . . . . 0.0 111.087 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' GLU . . . . . 0.508 ' HB3' HE21 ' A' ' 405' ' ' GLN . 33.8 mt-10 -62.52 -46.05 90.21 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.785 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 402' ' ' ILE . . . . . 0.423 HG21 ' O ' ' A' ' 399' ' ' LYS . 12.1 tt -64.17 -29.77 48.24 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.301 0 C-N-CA 121.346 -0.142 . . . . 0.0 110.838 -176.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.601 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 76.3 mtp180 -59.02 -48.25 82.28 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 174.231 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . 0.548 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 75.8 mtp180 -76.95 -38.45 53.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.913 -179.262 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 405' ' ' GLN . . . . . 0.508 HE21 ' HB3' ' A' ' 401' ' ' GLU . 73.3 mt-30 -64.86 -49.61 69.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.829 -0.169 . . . . 0.0 111.069 179.201 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -65.4 -28.75 69.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.874 0.369 . . . . 0.0 110.313 177.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.565 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.7 t80 -61.41 -58.62 7.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.527 176.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 404' ' ' ARG . 2.7 pp -72.06 -30.73 65.44 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.244 -178.086 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 409' ' ' LEU . . . . . 0.62 HD11 HG23 ' A' ' 432' ' ' VAL . 6.6 tt -60.22 -47.44 85.96 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 176.085 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 410' ' ' ASN . . . . . 0.421 ' O ' ' HG3' ' A' ' 414' ' ' ARG . 6.6 t30 -57.91 -46.82 84.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.244 177.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 18.6 m -60.82 -56.84 16.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.43 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.681 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 4.7 pp -66.24 -23.49 66.42 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.092 0.472 . . . . 0.0 110.656 -178.483 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . 0.45 ' HD2' HD13 ' A' ' 416' ' ' LEU . 15.8 t-160 -65.62 -32.35 73.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.738 174.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 414' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' A' ' 410' ' ' ASN . 43.7 mtp180 -83.77 -17.58 40.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 178.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 415' ' ' ASP . . . . . 0.449 ' OD2' ' HA ' ' A' ' 412' ' ' LEU . 39.8 m-20 -73.96 -3.56 29.88 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.047 174.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.45 HD13 ' HD2' ' A' ' 413' ' ' HIS . 94.0 mt -82.95 1.32 40.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.59 -178.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -153.63 178.99 9.24 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.82 0.343 . . . . 0.0 111.123 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 92.47 34.76 6.85 Favored Glycine 0 N--CA 1.445 -0.739 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 -176.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 88.62 22.87 38.25 Favored Glycine 0 N--CA 1.449 -0.448 0 N-CA-C 111.699 -0.56 . . . . 0.0 111.699 -176.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 38.7 mt -129.93 133.63 64.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.719 0.295 . . . . 0.0 110.658 -177.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -123.5 84.24 2.24 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 170.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . 0.585 ' CG ' ' HD3' ' A' ' 425' ' ' LYS . 9.9 t0 -106.56 126.03 51.75 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.192 -173.333 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 36.4 mt -92.22 -19.86 21.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.097 0.475 . . . . 0.0 110.584 -176.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 37.4 t -72.4 -39.28 68.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.116 -177.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . 0.681 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 11.9 mptt -62.35 -33.13 74.12 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.836 177.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 426' ' ' GLU . . . . . 0.523 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 47.5 mt-10 -65.95 -48.78 70.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.178 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -67.3 -25.42 66.02 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.3 176.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -77.25 -44.9 28.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.63 -175.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . 0.668 ' HB3' HD12 ' A' ' 412' ' ' LEU . 4.0 pp -62.69 -38.59 90.97 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -75.84 -29.59 58.65 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.31 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.594 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 43.2 tt0 -63.08 -56.87 13.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.161 177.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.62 HG23 HD11 ' A' ' 409' ' ' LEU . 20.8 m -68.2 -31.18 50.56 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.831 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -61.84 -46.22 90.39 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 120.888 0.375 . . . . 0.0 110.027 178.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 434' ' ' ARG . . . . . 0.594 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 17.4 ptt180 -68.66 -25.97 65.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.407 -178.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 435' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 431' ' ' GLU . 85.0 mt -74.28 -58.3 5.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.469 176.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . 0.482 HD11 ' N ' ' A' ' 437' ' ' THR . 4.3 pp -60.37 -34.95 74.61 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 121.216 -0.193 . . . . 0.0 111.174 -178.303 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 437' ' ' THR . . . . . 0.779 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 90.8 m -69.26 -49.22 58.12 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.668 -0.242 . . . . 0.0 110.84 178.236 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . 0.585 ' O ' ' HG2' ' A' ' 442' ' ' LYS . . . -63.4 -43.4 97.65 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.391 179.56 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 23.3 tp -60.63 -51.84 67.67 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.429 -176.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 440' ' ' LYS . . . . . 0.779 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 62.6 pttt -62.02 -32.06 72.51 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.224 0.535 . . . . 0.0 110.726 -178.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 441' ' ' ARG . . . . . 0.593 ' HG3' ' O ' ' A' ' 437' ' ' THR . 36.4 mtm180 -74.57 -46.28 39.83 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.35 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . 0.585 ' HG2' ' O ' ' A' ' 438' ' ' ALA . 30.9 mmmt -69.23 -22.83 63.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 111.432 -178.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . 0.416 HD13 ' O ' ' A' ' 394' ' ' THR . 89.2 mt -91.59 -22.29 20.39 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -177.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . 0.515 ' HA ' ' NE ' ' A' ' 444' ' ' ARG . 6.6 tpm_? -111.62 -52.92 2.75 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.352 -0.539 . . . . 0.0 111.444 178.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -79.56 -35.85 39.17 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-N 114.495 -1.229 . . . . 0.0 111.277 -178.925 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.609 0 N-CA-C 112.061 -0.416 . . . . 0.0 112.061 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.99 -64.13 0.51 Allowed 'General case' 0 C--N 1.322 -0.591 0 O-C-N 122.75 -0.265 . . . . 0.0 111.531 179.052 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -90.0 128.52 36.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.798 0.333 . . . . 0.0 111.437 -175.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 2.1 p -119.02 82.54 1.88 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.413 0.625 . . . . 0.0 110.825 171.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -67.09 -39.95 86.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.104 179.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -69.45 -19.89 63.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.252 175.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.32 -60.39 6.77 Favored Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.628 178.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.494 HD11 HD11 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -66.13 -33.89 66.58 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.856 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.413 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . 0.553 ' O ' ' HG3' ' A' ' 403' ' ' ARG . 3.5 mptp? -59.99 -44.44 94.5 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -178.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -71.25 -49.18 45.84 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.071 0.463 . . . . 0.0 110.431 177.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -62.84 -39.1 93.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.301 -177.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 402' ' ' ILE . . . . . 0.494 HD11 HD11 ' A' ' 398' ' ' ILE . 12.3 tt -70.69 -29.91 40.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 -179.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.563 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 97.8 mtt180 -56.1 -50.22 71.67 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 173.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . 0.5 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 38.3 mtp180 -74.37 -40.89 61.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.225 -178.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 405' ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' ' 409' ' ' LEU . 44.7 mt-30 -61.87 -45.83 92.08 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.298 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . 0.425 ' HG3' HG12 ' A' ' 402' ' ' ILE . 43.9 mt-10 -75.31 -20.1 59.27 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.65 178.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.563 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.8 t80 -71.67 -49.89 35.59 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 176.195 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . 0.658 HD12 HG12 ' A' ' 432' ' ' VAL . 3.5 pp -71.84 -29.92 64.92 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 120.774 -0.371 . . . . 0.0 110.199 176.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 409' ' ' LEU . . . . . 0.465 ' N ' HD11 ' A' ' 408' ' ' LEU . 27.6 tp -59.76 -44.34 93.89 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 174.151 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -59.14 -54.24 49.19 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.804 176.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 411' ' ' SER . . . . . 0.504 ' HG ' ' HA ' ' A' ' 408' ' ' LEU . 12.1 p -64.81 -48.72 73.39 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.811 -175.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.947 HD11 ' HB3' ' A' ' 429' ' ' LEU . 3.9 pp -64.66 -27.8 69.18 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 121.066 -0.254 . . . . 0.0 111.285 -178.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 3.6 m170 -66.52 -35.97 81.55 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.011 0.434 . . . . 0.0 110.431 174.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -75.21 -19.99 59.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.842 178.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 415' ' ' ASP . . . . . 0.458 ' HB2' ' HD3' ' A' ' 425' ' ' LYS . 64.3 m-20 -82.46 -0.86 48.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.555 176.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 412' ' ' LEU . 39.5 mt -110.71 23.78 13.78 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.977 0.417 . . . . 0.0 110.398 -178.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . 0.482 ' HA ' ' OE1' ' A' ' 417' ' ' GLN . 12.8 mm-40 -87.28 171.97 10.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.816 -179.209 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -56.9 113.57 4.48 Favored Glycine 0 C--N 1.335 0.508 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.666 -178.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 116.55 -16.5 14.3 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 -178.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -117.38 114.58 46.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -108.76 113.48 26.47 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.166 0.508 . . . . 0.0 110.767 -178.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -150.78 134.52 16.55 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.937 178.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 96.8 mt -108.12 -12.02 15.18 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.008 0.433 . . . . 0.0 110.667 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 12.8 t -70.16 -42.27 72.71 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.575 -177.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . 0.563 ' HA ' ' HB2' ' A' ' 428' ' ' ARG . 50.8 mttm -69.53 -24.02 63.67 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.389 179.288 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 426' ' ' GLU . . . . . 0.518 ' HA ' ' CD2' ' A' ' 429' ' ' LEU . 34.4 tt0 -70.36 -41.95 72.46 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 177.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -66.4 -31.8 72.78 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.972 172.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 428' ' ' ARG . . . . . 0.563 ' HB2' ' HA ' ' A' ' 425' ' ' LYS . 30.5 mmt180 -72.48 -43.29 63.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.409 -179.073 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . 0.947 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.5 pp -64.97 -32.5 74.25 Favored 'General case' 0 CA--C 1.513 -0.475 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.284 -178.107 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 430' ' ' TRP . . . . . 0.4 ' N ' HD13 ' A' ' 429' ' ' LEU . 1.9 t90 -78.99 -29.89 44.06 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.249 177.158 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.539 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 40.1 tt0 -63.8 -59.7 4.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.172 178.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.658 HG12 HD12 ' A' ' 408' ' ' LEU . 24.0 m -65.29 -30.27 49.76 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.844 -179.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . 0.476 ' HB2' ' O ' ' A' ' 429' ' ' LEU . 7.9 tt0 -61.48 -51.76 67.33 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-O 121.18 0.514 . . . . 0.0 109.954 177.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 434' ' ' ARG . . . . . 0.539 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 38.5 ptt180 -69.44 -23.05 63.63 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.461 -177.146 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 435' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 431' ' ' GLU . 75.9 mt -79.15 -57.47 5.21 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.304 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.915 178.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . 0.443 HD11 ' N ' ' A' ' 437' ' ' THR . 4.6 pp -57.71 -33.77 68.75 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.745 0.307 . . . . 0.0 110.811 -179.156 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 437' ' ' THR . . . . . 0.443 ' N ' HD11 ' A' ' 436' ' ' LEU . 88.1 m -67.32 -60.12 2.85 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.776 177.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -64.16 -34.5 78.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.758 0.313 . . . . 0.0 111.074 -176.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.473 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 21.9 tp -61.12 -56.78 16.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.995 -178.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 440' ' ' LYS . . . . . 0.478 ' HB3' HG13 ' A' ' 398' ' ' ILE . 18.8 pttp -64.54 -27.77 69.19 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.979 0.419 . . . . 0.0 110.88 -177.071 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 441' ' ' ARG . . . . . 0.442 ' CZ ' ' HG3' ' A' ' 445' ' ' GLU . 29.1 mmm180 -71.99 -52.34 17.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.978 179.04 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -74.96 -8.43 56.47 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 -178.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 78.7 mt -98.67 -25.02 14.84 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.796 179.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -112.62 -37.99 4.74 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.406 -0.518 . . . . 0.0 111.641 -177.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . 0.442 ' HG3' ' CZ ' ' A' ' 441' ' ' ARG . 3.0 mm-40 -96.11 -7.65 35.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.983 0.42 . . . . 0.0 110.872 -171.263 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.937 0 CA-C-O 118.696 -0.669 . . . . 0.0 110.928 -178.395 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.713 0 N-CA-C 111.776 -0.53 . . . . 0.0 111.776 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 23.3 t -120.05 -24.59 5.99 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.136 0.493 . . . . 0.0 110.378 -177.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -110.17 -2.65 16.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.626 -179.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 3.1 m -65.19 106.14 1.25 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.309 -175.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -66.67 -31.78 72.68 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 175.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . 0.597 ' HA ' ' HB2' ' A' ' 399' ' ' LYS . . . -72.26 -4.68 31.02 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.91 176.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.93 -62.69 5.0 Favored Glycine 0 N--CA 1.443 -0.897 0 N-CA-C 110.794 -0.923 . . . . 0.0 110.794 177.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.589 HD13 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -68.02 -32.85 57.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 175.461 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . 0.826 ' HE2' ' HA ' ' A' ' 399' ' ' LYS . 0.0 OUTLIER -54.18 -45.71 72.18 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.446 -179.225 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -75.03 -46.7 33.16 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.077 0.465 . . . . 0.0 111.096 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -64.69 -33.04 75.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.087 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 402' ' ' ILE . . . . . 0.589 HD12 HD13 ' A' ' 398' ' ' ILE . 12.3 tt -73.22 -27.97 25.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 178.527 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.606 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 97.3 mtt180 -53.75 -52.46 60.11 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 170.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . 0.477 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 38.2 mmt180 -67.25 -49.11 65.65 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.762 -1.108 . . . . 0.0 111.047 -179.086 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 405' ' ' GLN . . . . . 0.48 ' O ' ' HB2' ' A' ' 409' ' ' LEU . 22.1 mt-30 -63.34 -37.68 88.19 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -175.125 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . 0.489 ' HA ' ' HB3' ' A' ' 409' ' ' LEU . 43.2 mt-10 -81.77 -23.42 36.63 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.673 177.667 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.541 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 4.3 t80 -63.38 -54.08 42.35 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 176.214 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . 0.599 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.1 pp -72.51 -25.65 61.48 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.862 177.208 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 409' ' ' LEU . . . . . 0.489 ' HB3' ' HA ' ' A' ' 406' ' ' GLU . 35.2 tp -61.4 -45.44 94.35 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 175.117 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -61.8 -43.47 98.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.089 174.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 411' ' ' SER . . . . . 0.407 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 30.7 m -63.37 -47.99 79.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.832 -177.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.876 ' HB2' ' HB3' ' A' ' 425' ' ' LYS . 3.8 pp -72.46 -23.66 61.09 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.539 -179.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . 0.494 ' N ' HD13 ' A' ' 412' ' ' LEU . 9.1 m170 -71.91 -44.7 63.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.943 0.401 . . . . 0.0 111.039 175.475 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 414' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 411' ' ' SER . 25.5 ptt180 -72.31 -16.29 61.9 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.875 177.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -80.53 -26.05 38.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.703 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.769 HD23 ' HB2' ' A' ' 425' ' ' LYS . 38.2 mt -80.82 -28.81 36.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.286 0.565 . . . . 0.0 110.53 176.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -84.86 145.84 27.62 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.306 -176.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 107.56 16.66 12.53 Favored Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 110.774 -0.931 . . . . 0.0 110.774 -174.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 78.92 24.39 62.05 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 121.163 -0.541 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 29.4 mm -89.85 133.11 32.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.731 0.301 . . . . 0.0 110.545 -177.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -103.07 94.87 5.77 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.126 177.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . 0.63 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 8.9 t70 -133.88 119.75 19.54 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.543 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 85.6 mt -97.02 -11.39 24.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.01 0.433 . . . . 0.0 111.01 -176.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 424' ' ' SER . . . . . 0.435 ' O ' ' HB2' ' A' ' 428' ' ' ARG . 36.5 t -73.24 -38.66 65.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.092 -0.503 . . . . 0.0 109.845 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . 0.876 ' HB3' ' HB2' ' A' ' 412' ' ' LEU . 12.7 mmtp -69.5 -28.5 66.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.511 178.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 426' ' ' GLU . . . . . 0.683 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 32.7 tt0 -69.01 -51.56 37.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.137 -177.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -67.44 -26.06 66.21 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.093 178.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 428' ' ' ARG . . . . . 0.435 ' HB2' ' O ' ' A' ' 424' ' ' SER . 10.4 ttm180 -77.23 -39.23 49.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.785 -177.381 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . 0.693 ' HB3' ' CD1' ' A' ' 412' ' ' LEU . 4.5 pp -65.07 -37.71 88.42 Favored 'General case' 0 CA--C 1.511 -0.549 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.102 179.281 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 430' ' ' TRP . . . . . 0.423 ' N ' HD13 ' A' ' 429' ' ' LEU . 1.8 t90 -74.45 -29.34 61.44 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.034 178.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.615 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 41.0 tt0 -61.29 -56.65 18.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.038 177.204 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.588 HG13 HD11 ' A' ' 408' ' ' LEU . 24.0 m -71.17 -32.45 47.64 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.227 -179.418 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -62.12 -48.11 81.59 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 120.852 0.358 . . . . 0.0 110.039 179.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 434' ' ' ARG . . . . . 0.615 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 13.7 ptm180 -64.3 -34.03 77.2 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.248 -177.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 435' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 431' ' ' GLU . 78.9 mt -72.09 -53.49 19.74 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.978 179.206 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . 0.403 HD12 ' N ' ' A' ' 437' ' ' THR . 4.6 pp -59.93 -34.44 73.22 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.724 -178.059 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 437' ' ' THR . . . . . 0.403 ' N ' HD12 ' A' ' 436' ' ' LEU . 63.0 m -71.09 -58.63 3.38 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.57 179.251 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -58.22 -41.7 84.65 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 120.844 0.354 . . . . 0.0 110.913 -175.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.437 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 37.5 tp -63.08 -55.98 20.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.099 -177.362 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 440' ' ' LYS . . . . . 0.51 ' HB3' HG13 ' A' ' 398' ' ' ILE . 18.4 pttp -66.16 -28.96 69.18 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.81 0.338 . . . . 0.0 111.33 -174.544 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -75.32 -43.28 51.67 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.617 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -17.36 61.7 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 121.152 -0.219 . . . . 0.0 111.539 179.413 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 78.9 mt -91.55 -39.37 11.95 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.534 177.032 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . 0.529 ' HD2' ' OE2' ' A' ' 445' ' ' GLU . 3.4 tmt_? -93.84 -38.91 11.0 Favored 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 -172.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . 0.529 ' OE2' ' HD2' ' A' ' 444' ' ' ARG . 44.6 mm-40 -85.41 12.2 8.83 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.63 0.252 . . . . 0.0 110.974 -176.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.943 -177.472 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.671 0 N-CA-C 112.074 -0.41 . . . . 0.0 112.074 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 4.7 p -117.78 78.1 1.21 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.212 0.53 . . . . 0.0 110.878 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . 0.409 ' HA ' HD23 ' A' ' 443' ' ' LEU . 1.4 mp0 -58.96 102.76 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.742 178.272 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 2.7 m -116.43 108.53 16.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.146 -179.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . 0.429 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 15.0 mm100 -70.36 -36.42 74.16 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 178.281 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -65.13 -19.02 65.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.849 173.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . 0.429 ' O ' ' HG2' ' A' ' 401' ' ' GLU . . . -62.96 -58.18 12.96 Favored Glycine 0 N--CA 1.444 -0.826 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.49 177.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.413 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -66.7 -29.63 47.06 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.59 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -178.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . 0.548 ' O ' HG23 ' A' ' 402' ' ' ILE . 20.9 mmtp -63.79 -47.93 78.96 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.56 177.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -68.74 -42.59 77.38 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 121.036 0.446 . . . . 0.0 110.476 177.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 397' ' ' GLY . 7.8 mm-40 -59.1 -52.05 67.4 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.606 177.293 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 402' ' ' ILE . . . . . 0.755 HG13 HD11 ' A' ' 436' ' ' LEU . 10.5 tt -59.16 -30.3 43.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.619 -175.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.596 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 80.0 mtp180 -61.03 -57.28 13.28 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.691 -0.403 . . . . 0.0 110.299 175.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . 0.459 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 23.8 ptt180 -77.84 -22.17 50.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.865 -176.476 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 405' ' ' GLN . . . . . 0.504 ' CB ' HD13 ' A' ' 436' ' ' LEU . 16.1 mm100 -84.41 -44.7 13.46 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.408 0.151 . . . . 0.0 111.408 -179.448 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . 0.412 ' CG ' HG12 ' A' ' 402' ' ' ILE . 25.0 mm-40 -65.0 -25.94 68.07 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 172.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.596 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 0.9 OUTLIER -59.45 -58.43 8.65 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.73 -1.123 . . . . 0.0 109.959 176.687 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . 0.486 ' HA ' ' OG ' ' A' ' 411' ' ' SER . 2.0 pp -75.2 -25.41 58.18 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.319 -178.498 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 409' ' ' LEU . . . . . 0.501 ' O ' ' HB2' ' A' ' 413' ' ' HIS . 6.1 tt -60.18 -46.23 90.4 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 173.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -62.59 -49.0 76.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.014 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 411' ' ' SER . . . . . 0.486 ' OG ' ' HA ' ' A' ' 408' ' ' LEU . 30.0 p -63.74 -45.87 87.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.521 0.2 . . . . 0.0 111.374 -177.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.727 ' HB2' ' HD2' ' A' ' 425' ' ' LYS . 2.6 pp -69.49 -26.98 64.82 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.074 177.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . 0.501 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 8.5 t-160 -71.15 -39.98 71.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.89 0.376 . . . . 0.0 110.535 176.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 414' ' ' ARG . . . . . 0.581 ' HA ' HE21 ' A' ' 417' ' ' GLN . 11.6 ptm180 -77.48 -9.14 58.73 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.918 0.389 . . . . 0.0 110.144 178.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -66.84 -22.11 66.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.876 172.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.881 HD21 ' HB2' ' A' ' 425' ' ' LYS . 31.7 mt -78.83 -32.79 46.3 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.667 176.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . 0.581 HE21 ' HA ' ' A' ' 414' ' ' ARG . 49.6 mt-30 -79.17 131.59 36.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.215 -173.338 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 122.13 1.11 10.48 Favored Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.373 -174.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 87.19 35.94 9.29 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 121.075 -0.583 . . . . 0.0 111.658 -178.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 31.0 mm -95.46 131.2 42.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.841 0.353 . . . . 0.0 110.522 -175.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -91.39 74.55 6.07 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.928 0.394 . . . . 0.0 110.269 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . 0.462 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 9.9 t0 -123.99 112.75 17.56 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 176.201 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 7.4 mp -95.25 -16.68 22.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.286 0.565 . . . . 0.0 110.134 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 35.3 m -64.34 -39.68 94.37 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.125 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . 0.881 ' HB2' HD21 ' A' ' 416' ' ' LEU . 36.4 mmtm -61.97 -32.44 72.89 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.124 178.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 426' ' ' GLU . . . . . 0.46 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 41.2 mt-10 -66.03 -43.93 86.16 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.404 0.621 . . . . 0.0 109.653 -179.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -68.89 -32.52 72.22 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.953 176.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 428' ' ' ARG . . . . . 0.46 ' O ' HG11 ' A' ' 432' ' ' VAL . 32.6 mmt180 -74.19 -45.76 46.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.365 -177.397 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . 0.554 ' HB3' HD13 ' A' ' 412' ' ' LEU . 4.2 pp -61.38 -33.58 73.9 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 178.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -76.1 -34.71 59.52 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 120.064 -0.655 . . . . 0.0 110.447 178.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.479 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 37.2 tt0 -59.57 -57.34 13.4 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.535 177.134 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.46 HG11 ' O ' ' A' ' 428' ' ' ARG . 4.1 p -63.15 -35.35 71.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.671 -179.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -65.0 -48.53 73.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.308 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 434' ' ' ARG . . . . . 0.479 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 15.4 ptm180 -67.61 -30.43 70.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.956 -175.269 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 435' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 431' ' ' GLU . 88.4 mt -69.25 -53.48 25.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 177.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . 0.755 HD11 HG13 ' A' ' 402' ' ' ILE . 96.6 mt -57.56 -42.82 83.79 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.344 178.191 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 437' ' ' THR . . . . . 1.04 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 78.6 m -62.85 -57.97 9.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.909 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -58.74 -43.97 90.36 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 120.595 0.236 . . . . 0.0 111.152 -176.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.592 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 53.9 tp -56.4 -61.38 2.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.381 -176.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 440' ' ' LYS . . . . . 1.04 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 46.9 pttt -58.68 -31.62 68.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.026 0.441 . . . . 0.0 111.322 -176.098 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 441' ' ' ARG . . . . . 0.545 ' HG2' ' O ' ' A' ' 437' ' ' THR . 24.2 mmt180 -70.44 -54.1 13.73 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.789 -179.6 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . 0.448 ' HE3' ' HA ' ' A' ' 439' ' ' LEU . 11.7 pttp -77.69 4.25 11.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.908 0.385 . . . . 0.0 111.301 -177.624 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 65.3 mt -89.23 -49.54 6.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.627 170.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 444' ' ' ARG . 27.6 ttt180 -99.84 -33.21 10.64 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -173.281 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -91.65 11.9 22.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.956 0.408 . . . . 0.0 110.782 -175.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.413 -0.803 . . . . 0.0 110.256 178.598 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.773 0 N-CA-C 111.78 -0.528 . . . . 0.0 111.78 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 14.7 p -100.65 -166.11 1.28 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.823 0.312 . . . . 0.0 110.835 -179.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 69.15 9.06 7.19 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.252 0.621 . . . . 0.0 110.882 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 12.5 p -91.05 66.4 5.78 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.736 177.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . 0.429 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 20.0 tp60 -61.99 -37.67 85.7 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.244 0.545 . . . . 0.0 109.55 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . 0.429 ' HA ' ' HB2' ' A' ' 399' ' ' LYS . . . -67.76 -11.56 58.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.824 175.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.76 -59.53 9.57 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 177.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.548 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -68.45 -29.53 44.42 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.882 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 395' ' ' GLN . 33.6 mmtp -58.31 -48.67 79.76 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.352 -0.539 . . . . 0.0 111.09 178.19 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -69.57 -48.11 61.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.084 0.469 . . . . 0.0 110.603 177.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -62.81 -38.9 92.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.668 -177.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 402' ' ' ILE . . . . . 0.539 HD13 HD13 ' A' ' 398' ' ' ILE . 10.4 tt -68.35 -36.01 73.23 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.487 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 -179.262 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.668 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 86.9 mtt180 -59.6 -47.53 85.2 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.956 178.177 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -77.25 -25.72 51.81 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.484 -176.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 405' ' ' GLN . . . . . 0.534 ' O ' ' HB2' ' A' ' 409' ' ' LEU . 44.0 mt-30 -85.24 -38.35 19.01 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.159 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -67.74 -22.24 65.24 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 170.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.668 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 25.9 t80 -68.12 -57.08 6.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.197 -0.91 . . . . 0.0 111.17 -178.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . 0.631 HD22 HG11 ' A' ' 432' ' ' VAL . 1.9 pt? -76.65 -23.2 53.28 Favored 'General case' 0 C--O 1.22 -0.484 0 C-N-CA 119.82 -0.752 . . . . 0.0 109.686 -178.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 409' ' ' LEU . . . . . 0.534 ' HB2' ' O ' ' A' ' 405' ' ' GLN . 4.4 tt -63.68 -42.91 97.97 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 173.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 410' ' ' ASN . . . . . 0.458 ' HB3' ' O ' ' A' ' 407' ' ' PHE . 4.2 t-20 -57.29 -48.58 78.56 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.065 172.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 20.1 t -63.09 -48.6 77.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.696 -178.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.961 ' HB2' ' HB3' ' A' ' 425' ' ' LYS . 4.5 pp -68.59 -24.72 64.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.165 -0.334 . . . . 0.0 111.49 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . 0.413 ' N ' HD12 ' A' ' 412' ' ' LEU . 0.3 OUTLIER -67.21 -44.09 80.44 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 176.338 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -71.77 -16.42 62.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.013 0.435 . . . . 0.0 110.518 175.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -80.24 -17.24 52.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.557 175.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.582 HD23 ' HB2' ' A' ' 425' ' ' LYS . 95.1 mt -87.02 1.59 52.35 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.321 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -120.51 156.06 32.31 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 122.327 -0.233 . . . . 0.0 110.411 -177.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 104.58 26.42 6.49 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.828 177.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 72.3 35.56 60.2 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.544 -176.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 49.9 mm -96.31 119.77 44.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.867 0.365 . . . . 0.0 110.559 -176.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 8.2 tptp -90.87 65.04 5.65 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.345 0.593 . . . . 0.0 109.639 178.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . 0.476 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 10.0 t70 -117.25 123.2 46.02 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.791 -178.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 86.5 mt -108.41 -6.39 16.23 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.507 0.67 . . . . 0.0 109.336 178.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 43.5 t -67.25 -47.17 71.52 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.345 -177.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . 0.961 ' HB3' ' HB2' ' A' ' 412' ' ' LEU . 30.3 mmtm -64.87 -23.84 67.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.927 0.394 . . . . 0.0 110.358 -178.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 426' ' ' GLU . . . . . 0.632 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 32.7 tt0 -71.39 -47.63 54.91 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.745 -177.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -64.74 -35.4 80.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.404 0.621 . . . . 0.0 109.579 176.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -73.36 -37.32 66.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.749 -175.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . 0.867 ' HB3' HD13 ' A' ' 412' ' ' LEU . 4.5 pp -65.99 -35.0 79.38 Favored 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 177.203 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -71.77 -31.97 67.18 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.353 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.539 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 10.6 tp10 -66.56 -50.19 63.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.231 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.631 HG11 HD22 ' A' ' 408' ' ' LEU . 19.2 m -69.31 -31.92 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.571 178.334 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -63.74 -50.89 67.32 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.001 0.429 . . . . 0.0 110.043 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 434' ' ' ARG . . . . . 0.539 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 3.6 ptm180 -61.69 -34.17 75.29 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.39 -177.497 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 435' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 431' ' ' GLU . 82.5 mt -69.76 -58.65 4.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.692 -0.231 . . . . 0.0 111.475 178.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . 0.464 HD11 ' N ' ' A' ' 437' ' ' THR . 4.6 pp -60.98 -30.64 70.39 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.701 0.286 . . . . 0.0 111.255 -177.76 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 437' ' ' THR . . . . . 0.481 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 63.7 m -74.94 -54.5 7.11 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.101 178.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -63.44 -31.8 73.07 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.761 -176.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 45.3 tp -66.81 -59.39 3.58 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.863 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 440' ' ' LYS . . . . . 0.548 ' HB3' HG13 ' A' ' 398' ' ' ILE . 61.3 pttt -59.99 -33.54 72.11 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.784 0.326 . . . . 0.0 111.36 -175.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 441' ' ' ARG . . . . . 0.434 ' O ' ' HG3' ' A' ' 445' ' ' GLU . 10.3 mmm180 -64.87 -64.64 0.82 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.434 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . 0.524 ' HD2' ' N ' ' A' ' 442' ' ' LYS . 3.2 mptp? -75.87 -5.91 48.28 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.551 -173.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 50.0 tp -83.58 -29.44 27.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.144 0.497 . . . . 0.0 109.679 172.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -95.75 -34.42 11.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.51 179.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' A' ' 441' ' ' ARG . 45.9 mt-10 -80.83 0.44 34.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.394 -175.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.842 0 CA-C-O 118.446 -0.787 . . . . 0.0 110.559 179.064 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.795 0 N-CA-C 112.385 -0.286 . . . . 0.0 112.385 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 49.2 m 54.12 41.32 32.06 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.193 0.521 . . . . 0.0 111.496 178.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -116.88 131.7 56.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.547 -176.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 6.8 m -141.09 105.49 4.85 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.662 178.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -63.35 -28.97 70.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.095 0.474 . . . . 0.0 110.041 174.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . 0.522 ' HA ' ' HB3' ' A' ' 399' ' ' LYS . . . -70.05 -5.33 25.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.559 173.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -66.82 -64.98 2.99 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 177.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.567 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -64.56 -30.48 50.32 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 176.712 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . 0.625 ' O ' ' HG3' ' A' ' 403' ' ' ARG . 15.5 tppt? -56.2 -54.06 49.77 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.66 177.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -68.04 -46.07 72.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.261 0.553 . . . . 0.0 110.369 -178.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -60.81 -44.27 97.08 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.978 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 402' ' ' ILE . . . . . 0.567 HD12 HD11 ' A' ' 398' ' ' ILE . 10.3 tt -65.59 -28.88 45.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 O-C-N 122.971 0.169 . . . . 0.0 111.062 -177.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.625 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 61.2 mtp180 -60.41 -51.96 67.27 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 175.002 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -69.86 -40.08 75.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.815 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 405' ' ' GLN . . . . . 0.547 ' NE2' ' HB3' ' A' ' 436' ' ' LEU . 25.8 mt-30 -68.72 -49.99 54.35 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.447 -176.025 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . 0.409 ' HG2' HG12 ' A' ' 402' ' ' ILE . 11.1 mm-40 -63.25 -30.99 72.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.968 0.414 . . . . 0.0 109.916 176.016 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.568 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 1.4 t80 -62.27 -52.65 62.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.085 177.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . 0.597 HD11 ' N ' ' A' ' 409' ' ' LEU . 3.5 pp -73.82 -33.8 64.32 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.37 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 409' ' ' LEU . . . . . 0.679 ' O ' ' HB2' ' A' ' 413' ' ' HIS . 4.1 tt -59.53 -46.44 88.85 Favored 'General case' 0 C--O 1.225 -0.233 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 176.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.6 -48.98 79.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.557 177.102 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 411' ' ' SER . . . . . 0.512 ' OG ' ' HA ' ' A' ' 408' ' ' LEU . 9.7 p -67.07 -43.05 83.64 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -176.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.726 HD11 ' HB3' ' A' ' 429' ' ' LEU . 4.4 pp -72.8 -23.51 60.8 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 120.226 -0.59 . . . . 0.0 110.388 176.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . 0.679 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 3.2 t-160 -67.66 -30.63 70.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.389 0.614 . . . . 0.0 109.617 173.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -85.62 -14.87 44.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.377 175.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 415' ' ' ASP . . . . . 0.588 ' HB2' ' HA ' ' A' ' 412' ' ' LEU . 5.1 t70 -73.72 -19.91 60.67 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.111 178.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.658 HD22 ' HB2' ' A' ' 425' ' ' LYS . 48.9 mt -85.0 -5.17 59.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.791 178.095 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -116.58 169.44 9.34 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.782 -174.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 88.98 15.36 59.41 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.548 -175.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 87.0 34.14 11.27 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.151 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 43.7 mm -110.5 135.33 49.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.557 0.218 . . . . 0.0 110.567 -177.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -115.76 83.72 1.98 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.95 0.405 . . . . 0.0 111.097 176.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . 0.584 ' OD2' ' HG2' ' A' ' 425' ' ' LYS . 26.2 t70 -119.9 129.06 54.19 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.943 175.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 7.2 mp -93.59 -11.31 32.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.174 0.512 . . . . 0.0 110.128 -178.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 1.6 m -66.44 -51.82 52.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.581 -178.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . 0.658 ' HB2' HD22 ' A' ' 416' ' ' LEU . 69.7 mmtt -63.2 -25.74 68.48 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.207 -179.376 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 426' ' ' GLU . . . . . 0.541 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 50.6 mt-10 -66.33 -50.4 63.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.252 0.548 . . . . 0.0 110.011 179.348 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -66.37 -29.59 69.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.371 0.605 . . . . 0.0 109.948 176.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 428' ' ' ARG . . . . . 0.616 ' O ' HG11 ' A' ' 432' ' ' VAL . 15.5 mmt180 -75.89 -43.42 45.48 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.323 -176.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . 0.726 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.5 pp -61.57 -32.45 72.54 Favored 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 178.708 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 430' ' ' TRP . . . . . 0.405 ' N ' HD13 ' A' ' 429' ' ' LEU . 2.9 t90 -77.13 -33.48 56.78 Favored 'General case' 0 N--CA 1.438 -1.045 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.57 178.273 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.444 ' O ' HG13 ' A' ' 435' ' ' ILE . 9.5 tp10 -64.11 -56.49 14.48 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -179.271 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.616 HG11 ' O ' ' A' ' 428' ' ' ARG . 2.6 p -60.57 -34.92 60.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.136 178.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -64.43 -50.99 65.4 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.592 -177.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 434' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -69.54 -27.76 65.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.104 -175.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 435' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 431' ' ' GLU . 79.5 mt -69.19 -55.22 16.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 121.296 -0.162 . . . . 0.0 111.135 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . 0.547 ' HB3' ' NE2' ' A' ' 405' ' ' GLN . 3.9 pp -61.66 -40.02 93.42 Favored 'General case' 0 C--O 1.225 -0.232 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 62.2 m -63.89 -49.11 73.97 Favored 'General case' 0 N--CA 1.455 -0.188 0 O-C-N 123.316 0.385 . . . . 0.0 111.027 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.13 -51.22 70.02 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.825 0.345 . . . . 0.0 110.408 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 50.0 tp -59.11 -53.97 52.27 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.626 -176.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 440' ' ' LYS . . . . . 0.513 ' HB3' HG13 ' A' ' 398' ' ' ILE . 21.6 ptmt -58.3 -36.56 73.51 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.137 0.494 . . . . 0.0 111.325 -175.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -72.4 -49.99 29.71 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.241 -177.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -77.79 -8.9 58.67 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.378 -178.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 53.1 tp -89.86 -53.56 4.44 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.637 0.256 . . . . 0.0 110.849 177.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -78.79 -40.19 33.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.924 0.393 . . . . 0.0 111.033 -176.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -94.72 35.04 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.144 -173.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.427 -0.797 . . . . 0.0 109.919 176.419 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.557 0 N-CA-C 111.999 -0.441 . . . . 0.0 111.999 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 49.5 m -104.83 145.68 30.04 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.77 0.319 . . . . 0.0 110.297 177.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -67.1 90.63 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.947 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 394' ' ' THR . . . . . 0.423 ' O ' HD12 ' A' ' 443' ' ' LEU . 3.8 m -88.86 104.74 17.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.729 0.299 . . . . 0.0 111.061 179.332 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -66.78 -32.34 73.56 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 175.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -68.71 -16.78 63.92 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.245 175.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.77 -58.71 11.0 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 178.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.545 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -71.05 -32.63 48.76 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.627 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 177.002 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . 0.875 ' HE2' ' HA ' ' A' ' 399' ' ' LYS . 0.1 OUTLIER -56.59 -50.23 72.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.829 0.347 . . . . 0.0 110.88 -177.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -70.47 -46.25 64.16 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.177 0.513 . . . . 0.0 110.278 -178.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -65.76 -35.24 80.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.943 -177.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 402' ' ' ILE . . . . . 0.545 HD12 HD11 ' A' ' 398' ' ' ILE . 12.6 tt -70.5 -30.09 41.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 -179.422 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.618 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 77.9 mtp180 -60.94 -44.81 96.72 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 173.511 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . 0.483 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 63.6 mtt85 -68.34 -50.1 55.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.984 178.383 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 405' ' ' GLN . . . . . 0.548 ' NE2' ' HB3' ' A' ' 436' ' ' LEU . 25.5 mt-30 -65.59 -39.59 91.75 Favored 'General case' 0 C--O 1.221 -0.447 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -175.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -77.12 -22.77 52.17 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 119.961 -0.696 . . . . 0.0 110.613 177.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.61 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 4.7 t80 -66.94 -52.91 37.27 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 176.177 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . 0.657 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.9 pp -71.54 -27.04 62.91 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.803 177.503 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 409' ' ' LEU . . . . . 0.543 ' HB2' ' O ' ' A' ' 405' ' ' GLN . 6.0 tt -61.78 -46.88 87.64 Favored 'General case' 0 C--O 1.223 -0.325 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 174.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -58.1 -41.51 83.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.615 176.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 411' ' ' SER . . . . . 0.595 ' O ' ' HG3' ' A' ' 414' ' ' ARG . 25.1 t -63.54 -59.82 4.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.665 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 3.5 pp -65.14 -23.75 67.22 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 122.054 -0.404 . . . . 0.0 111.032 -178.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . 0.488 ' N ' HD12 ' A' ' 412' ' ' LEU . 11.8 t-160 -63.01 -41.15 99.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.776 173.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 414' ' ' ARG . . . . . 0.595 ' HG3' ' O ' ' A' ' 411' ' ' SER . 5.5 ppt_? -81.87 -10.17 59.38 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.848 -177.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 415' ' ' ASP . . . . . 0.569 ' HB2' ' HG2' ' A' ' 425' ' ' LYS . 42.7 m-20 -78.53 -3.32 43.06 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.221 172.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 96.1 mt -90.82 1.77 56.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.184 0.516 . . . . 0.0 110.386 176.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . 0.475 ' OE1' ' HA ' ' A' ' 414' ' ' ARG . 37.9 mt-30 -101.25 153.7 19.4 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.556 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 118.95 -4.07 14.27 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.155 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 85.17 13.93 70.23 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.869 -0.682 . . . . 0.0 111.899 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 26.9 pt -95.66 150.96 4.04 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.851 0 CA-C-O 120.846 0.355 . . . . 0.0 111.338 -178.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -98.51 91.24 5.07 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.545 176.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . 0.615 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 10.0 t70 -106.94 123.01 47.56 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 177.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . 0.402 ' N ' HD12 ' A' ' 423' ' ' LEU . 7.0 mp -94.0 -27.75 16.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.036 0.446 . . . . 0.0 110.467 -176.643 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 424' ' ' SER . . . . . 0.426 ' O ' ' HB2' ' A' ' 428' ' ' ARG . 28.0 t -65.67 -50.16 65.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.709 -174.48 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . 0.665 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 10.1 mptt -64.1 -32.1 73.53 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.562 -176.201 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 426' ' ' GLU . . . . . 0.71 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 38.1 tt0 -78.84 -48.5 14.61 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.076 -174.235 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -63.96 -29.82 70.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.273 176.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 428' ' ' ARG . . . . . 0.503 ' HA ' ' HB3' ' A' ' 431' ' ' GLU . 70.8 mtt180 -85.26 -26.93 26.35 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -177.439 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . 0.71 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 3.9 pp -63.95 -37.41 87.32 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 119.573 -0.851 . . . . 0.0 108.776 172.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -78.82 -30.27 45.23 Favored 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.2 177.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.503 ' HB3' ' HA ' ' A' ' 428' ' ' ARG . 37.0 tt0 -62.09 -55.54 27.93 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.564 178.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 19.9 m -68.22 -27.65 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.834 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . 0.429 ' HA ' ' HG ' ' A' ' 436' ' ' LEU . 35.7 tt0 -69.41 -44.0 72.28 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.613 179.23 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 434' ' ' ARG . . . . . 0.488 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 20.3 ptt180 -68.37 -26.76 65.74 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 178.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 435' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 431' ' ' GLU . 81.0 mt -73.21 -54.88 14.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.693 175.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . 0.552 HD12 ' N ' ' A' ' 437' ' ' THR . 4.3 pp -60.53 -33.86 73.26 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.776 0.322 . . . . 0.0 111.222 -178.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 437' ' ' THR . . . . . 0.655 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 98.1 m -74.06 -51.41 15.86 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.767 179.596 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -58.99 -43.03 91.38 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.837 0.351 . . . . 0.0 110.673 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.465 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 39.7 tp -62.06 -53.13 59.83 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.874 -177.229 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 440' ' ' LYS . . . . . 0.684 ' O ' ' HG2' ' A' ' 444' ' ' ARG . 62.3 pttt -62.44 -34.25 76.42 Favored 'General case' 0 CA--C 1.521 -0.165 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.031 -177.093 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 441' ' ' ARG . . . . . 0.536 ' HG2' ' O ' ' A' ' 437' ' ' THR . 31.0 mmm180 -67.29 -52.19 43.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.825 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 18.1 mttp -64.23 -20.11 65.82 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -178.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 78.9 mt -87.8 -34.08 18.4 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -178.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . 0.684 ' HG2' ' O ' ' A' ' 440' ' ' LYS . 14.2 ptm180 -99.03 -34.85 10.24 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -176.413 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . 0.508 ' HG2' ' HG3' ' A' ' 444' ' ' ARG . 26.7 mm-40 -90.58 25.69 2.23 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.899 0.38 . . . . 0.0 110.526 -177.454 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.443 -0.789 . . . . 0.0 110.412 -179.084 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.848 0 N-CA-C 111.601 -0.599 . . . . 0.0 111.601 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 6.1 t -107.68 94.89 5.33 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 172.323 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . 0.4 ' HB3' HD22 ' A' ' 443' ' ' LEU . 7.2 mm-40 -69.65 130.05 41.33 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.926 -169.498 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 3.9 m -126.61 112.76 15.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.575 -178.364 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -65.48 -35.31 80.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.109 0.481 . . . . 0.0 109.871 178.413 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -66.22 -17.01 64.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.619 174.236 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.47 -57.27 17.29 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.826 179.898 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.529 HD12 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -70.83 -36.27 63.73 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 178.631 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . 0.676 ' HE2' ' HA ' ' A' ' 399' ' ' LYS . 0.1 OUTLIER -56.43 -57.03 14.05 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -176.052 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -72.21 -36.92 69.31 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.976 0.417 . . . . 0.0 111.182 -178.272 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 401' ' ' GLU . . . . . 0.52 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 33.3 mm-40 -69.56 -37.42 77.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.725 179.935 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 402' ' ' ILE . . . . . 0.596 HG21 ' O ' ' A' ' 399' ' ' LYS . 13.7 tt -67.48 -28.87 43.6 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.374 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 -179.745 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.535 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 81.2 mtp180 -61.2 -45.78 93.18 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 171.928 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -64.89 -45.84 84.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.723 175.716 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 405' ' ' GLN . . . . . 0.52 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 48.1 mt-30 -61.77 -54.24 45.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.966 -178.298 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . 0.448 ' HG3' HG12 ' A' ' 402' ' ' ILE . 45.1 mt-10 -67.16 -22.04 65.78 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.785 0.326 . . . . 0.0 111.102 -178.433 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.535 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 4.3 t80 -64.1 -55.81 19.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.792 176.661 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . 0.511 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.3 pp -72.81 -28.4 62.54 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 178.096 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 409' ' ' LEU . . . . . 0.447 ' N ' HD12 ' A' ' 408' ' ' LEU . 6.9 tt -58.81 -53.18 61.29 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 176.417 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 410' ' ' ASN . . . . . 0.463 HD22 ' NH1' ' A' ' 414' ' ' ARG . 7.6 t30 -58.71 -38.73 78.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.844 177.767 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 11.0 t -61.59 -61.63 2.38 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.825 179.803 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.595 ' HA ' ' OD2' ' A' ' 415' ' ' ASP . 4.3 pp -68.0 -21.42 65.04 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 120.896 0.379 . . . . 0.0 111.258 -177.854 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 18.3 t-160 -66.93 -32.85 74.38 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 174.21 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 414' ' ' ARG . . . . . 0.463 ' NH1' HD22 ' A' ' 410' ' ' ASN . 74.9 mtt180 -86.37 -12.39 49.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.269 179.728 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 415' ' ' ASP . . . . . 0.595 ' OD2' ' HA ' ' A' ' 412' ' ' LEU . 7.2 m-20 -65.69 -20.83 66.44 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.74 0.305 . . . . 0.0 110.601 170.217 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 74.8 mt -83.52 -17.25 42.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.445 179.6 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -94.94 145.47 24.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.8 -172.215 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 107.55 18.94 9.66 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -175.823 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 76.89 30.23 56.15 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.265 -0.493 . . . . 0.0 112.3 -177.778 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 46.6 mm -94.05 122.21 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.873 0.368 . . . . 0.0 110.79 -177.313 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -93.48 81.4 4.37 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 177.885 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -109.48 138.77 45.35 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.632 178.682 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -103.64 -32.0 9.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.94 0.4 . . . . 0.0 110.617 -178.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 424' ' ' SER . . . . . 0.503 ' O ' ' HB2' ' A' ' 428' ' ' ARG . 33.1 t -68.63 -44.56 73.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.784 -175.574 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . 0.432 ' CG ' ' HB2' ' A' ' 412' ' ' LEU . 0.0 OUTLIER -65.16 -35.63 81.69 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.574 -177.689 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 426' ' ' GLU . . . . . 0.661 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 11.5 tp10 -64.52 -54.37 33.42 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.279 0.561 . . . . 0.0 110.073 -178.734 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -63.43 -26.29 68.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.582 176.839 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 428' ' ' ARG . . . . . 0.528 ' HA ' ' HE ' ' A' ' 428' ' ' ARG . 0.3 OUTLIER -74.29 -43.17 57.92 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.764 -177.381 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . 0.661 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.5 pp -63.95 -34.87 78.95 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.398 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 430' ' ' TRP . . . . . 0.407 ' N ' HD12 ' A' ' 429' ' ' LEU . 2.7 t90 -74.32 -30.45 62.05 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 120.188 -0.605 . . . . 0.0 110.374 178.003 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 9.5 tp10 -61.57 -58.14 9.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.199 0.523 . . . . 0.0 109.901 176.529 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.411 ' CG2' ' HB3' ' A' ' 405' ' ' GLN . 7.7 p -63.8 -33.94 65.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.931 -179.594 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -64.21 -47.53 79.39 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-O 120.878 0.371 . . . . 0.0 110.609 179.811 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 434' ' ' ARG . . . . . 0.455 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 36.5 ptt180 -68.83 -24.9 64.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.03 -175.665 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 435' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 431' ' ' GLU . 80.5 mt -73.75 -56.35 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.516 0.198 . . . . 0.0 110.798 176.626 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . 0.489 HD12 ' N ' ' A' ' 437' ' ' THR . 4.3 pp -60.91 -33.27 72.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.022 -178.911 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 437' ' ' THR . . . . . 0.696 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 76.4 m -70.87 -50.62 33.13 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.621 0.248 . . . . 0.0 111.047 178.744 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.22 -41.32 96.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.842 0.353 . . . . 0.0 111.053 -177.476 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.539 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 41.9 tp -63.64 -53.16 55.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.377 -177.091 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 440' ' ' LYS . . . . . 0.696 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 60.0 pttt -63.21 -30.11 71.32 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.084 0.469 . . . . 0.0 111.091 -177.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -73.27 -46.25 51.0 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.425 -179.303 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -10.54 59.78 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.376 -0.53 . . . . 0.0 111.338 179.699 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 69.4 mt -92.24 -25.57 18.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.654 0.264 . . . . 0.0 111.203 176.043 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -107.28 -46.02 3.97 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -176.246 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -82.12 2.8 29.66 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.864 0.364 . . . . 0.0 110.679 -173.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.591 -0.719 . . . . 0.0 111.037 -179.603 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.765 0 N-CA-C 112.363 -0.295 . . . . 0.0 112.363 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 50.5 m -99.03 21.44 11.7 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.987 0.422 . . . . 0.0 111.206 -177.017 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -77.59 74.2 4.15 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 177.068 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 2.4 p -96.6 102.27 14.02 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.303 0.573 . . . . 0.0 112.517 -175.491 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . 0.545 ' NE2' ' HB2' ' A' ' 444' ' ' ARG . 15.7 mm-40 -67.35 -32.29 73.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.312 172.277 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -65.56 -19.58 65.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.489 174.32 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.47 -56.17 21.26 Favored Glycine 0 N--CA 1.45 -0.394 0 N-CA-C 111.582 -0.607 . . . . 0.0 111.582 178.316 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.518 HD12 HD13 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -71.86 -32.52 44.83 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.716 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 175.451 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 395' ' ' GLN . 7.3 tppt? -56.76 -48.57 77.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.676 0.274 . . . . 0.0 110.956 -178.911 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -67.63 -45.24 75.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.848 0.356 . . . . 0.0 110.781 178.28 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -64.49 -43.91 92.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.0 -0.546 . . . . 0.0 112.03 -179.161 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 402' ' ' ILE . . . . . 0.518 HD13 HD12 ' A' ' 398' ' ' ILE . 13.8 tt -65.28 -30.67 50.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 -177.686 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.56 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 97.3 mtt180 -60.3 -51.55 69.07 Favored 'General case' 0 C--O 1.225 -0.205 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 172.252 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . 0.605 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 68.2 mtp180 -63.44 -50.45 69.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.556 -179.91 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 405' ' ' GLN . . . . . 0.439 ' O ' ' HB2' ' A' ' 409' ' ' LEU . 80.5 mt-30 -66.54 -43.74 84.31 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.284 -173.584 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -74.62 -24.43 58.85 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 119.832 -0.747 . . . . 0.0 110.581 178.429 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.56 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.6 t80 -66.74 -53.44 33.24 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 175.887 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' A' ' 404' ' ' ARG . 3.1 pp -70.55 -30.86 67.69 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.008 179.293 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 409' ' ' LEU . . . . . 0.513 HD11 HG21 ' A' ' 432' ' ' VAL . 7.3 tt -60.57 -50.02 75.21 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 175.713 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -58.6 -42.69 88.69 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.155 178.315 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 411' ' ' SER . . . . . 0.575 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 27.9 m -65.87 -53.91 33.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.129 -179.263 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.832 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 4.4 pp -66.05 -21.71 66.39 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.17 0.51 . . . . 0.0 110.548 -179.422 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 13.7 t-160 -65.79 -39.47 90.98 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.428 175.349 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 414' ' ' ARG . . . . . 0.575 ' HG2' ' O ' ' A' ' 411' ' ' SER . 17.7 ptt180 -76.67 -16.88 59.42 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.396 -0.521 . . . . 0.0 110.803 179.069 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 415' ' ' ASP . . . . . 0.574 ' OD2' ' HA ' ' A' ' 412' ' ' LEU . 64.2 m-20 -63.88 -25.86 68.35 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.575 0.226 . . . . 0.0 111.093 172.069 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.41 HD23 ' HB2' ' A' ' 425' ' ' LYS . 64.8 mt -81.75 -27.92 33.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.167 0.508 . . . . 0.0 110.986 -179.592 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . 0.413 HE21 ' HA ' ' A' ' 414' ' ' ARG . 49.4 mt-30 -84.14 146.87 27.64 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.998 -174.778 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 108.24 8.91 28.53 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.316 -0.713 . . . . 0.0 111.316 -176.085 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 81.37 35.73 22.45 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 121.025 -0.607 . . . . 0.0 111.853 -178.898 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 46.0 mm -94.56 128.35 45.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.719 0.295 . . . . 0.0 110.691 -176.875 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -91.58 87.2 6.26 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.099 0.476 . . . . 0.0 109.846 176.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . 0.474 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 11.6 t70 -133.99 119.67 19.31 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.63 178.298 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 88.3 mt -98.09 -8.01 28.53 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.947 -179.793 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 36.9 t -73.96 -51.53 15.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.9 -177.808 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . 0.832 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 3.5 mptp? -58.54 -36.96 74.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.047 179.105 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 426' ' ' GLU . . . . . 0.647 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 8.7 tp10 -62.7 -53.72 50.14 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.283 -177.866 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -64.45 -26.2 68.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.837 177.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -78.06 -37.95 45.51 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.99 -177.835 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . 0.827 ' HB3' HD13 ' A' ' 412' ' ' LEU . 4.2 pp -64.56 -39.29 93.48 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 120.32 -0.552 . . . . 0.0 109.663 177.686 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 430' ' ' TRP . . . . . 0.401 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 2.0 t90 -76.58 -25.38 53.93 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 120.306 -0.558 . . . . 0.0 110.377 178.531 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.454 ' O ' HG13 ' A' ' 435' ' ' ILE . 38.7 tt0 -61.91 -61.94 2.14 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.513 HG21 HD11 ' A' ' 409' ' ' LEU . 34.7 m -66.95 -30.15 48.64 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.307 -178.047 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -62.58 -46.6 87.58 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 121.141 0.496 . . . . 0.0 110.355 -178.588 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 434' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 430' ' ' TRP . 40.4 ptt180 -77.13 -25.05 51.67 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.457 -178.889 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 435' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 431' ' ' GLU . 76.2 mt -68.89 -53.3 27.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.96 175.584 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . 0.498 HD21 HG13 ' A' ' 402' ' ' ILE . 4.5 pp -61.7 -30.32 70.67 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.753 0.311 . . . . 0.0 110.772 179.2 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 437' ' ' THR . . . . . 0.842 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 93.2 m -68.93 -56.74 6.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.778 176.487 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . 0.533 ' O ' ' HD2' ' A' ' 442' ' ' LYS . . . -61.67 -35.95 79.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.081 -179.386 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 31.3 tp -60.85 -53.04 62.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.024 -178.059 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 440' ' ' LYS . . . . . 0.842 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 53.2 pttt -62.84 -25.11 68.11 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.849 -0.341 . . . . 0.0 110.884 -179.572 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 441' ' ' ARG . . . . . 0.552 ' HE ' ' HA ' ' A' ' 441' ' ' ARG . 0.8 OUTLIER -63.05 -57.62 10.04 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.615 177.545 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . 0.533 ' HD2' ' O ' ' A' ' 438' ' ' ALA . 0.0 OUTLIER -75.91 -9.76 58.87 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.315 -0.554 . . . . 0.0 111.653 -177.231 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 74.0 mt -99.11 -5.21 30.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.57 177.862 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . 0.545 ' HB2' ' NE2' ' A' ' 395' ' ' GLN . 71.3 ttt180 -125.15 -41.51 2.07 Favored 'General case' 0 CA--C 1.528 0.11 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 178.366 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . 0.48 ' HG2' ' O ' ' A' ' 441' ' ' ARG . 18.8 mm-40 -76.42 4.03 9.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.685 0.279 . . . . 0.0 111.048 -176.091 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.551 -0.737 . . . . 0.0 110.402 179.553 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.707 0 N-CA-C 111.961 -0.455 . . . . 0.0 111.961 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 40.7 t -92.34 -64.51 1.1 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 177.267 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -136.75 156.73 48.12 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 176.556 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 6.6 p -120.95 114.31 21.36 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -172.464 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -70.63 -35.49 72.95 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 173.3 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -70.96 -14.78 62.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.796 175.35 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.82 -63.09 4.25 Favored Glycine 0 N--CA 1.442 -0.939 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.176 178.309 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.557 ' HB ' HD23 ' A' ' 439' ' ' LEU . 9.1 tp -66.77 -22.84 30.21 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.735 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 178.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . 0.525 ' O ' HG22 ' A' ' 402' ' ' ILE . 1.6 tppp? -59.51 -55.55 33.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.115 0.483 . . . . 0.0 110.431 175.234 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -73.49 -39.03 65.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.456 179.478 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 401' ' ' GLU . . . . . 0.491 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 46.3 mt-10 -62.83 -39.47 94.43 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.961 178.314 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 402' ' ' ILE . . . . . 0.532 ' HB ' ' O ' ' A' ' 398' ' ' ILE . 9.1 tt -68.93 -29.59 43.88 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.543 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 -178.356 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.571 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 74.3 mtp180 -58.71 -46.05 88.2 Favored 'General case' 0 C--O 1.228 -0.073 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 171.554 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 -67.67 -46.38 72.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.147 178.339 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 405' ' ' GLN . . . . . 0.491 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 45.4 mt-30 -67.13 -49.96 63.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.674 -176.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . 0.411 ' HG2' HG12 ' A' ' 402' ' ' ILE . 7.3 mm-40 -61.88 -29.18 70.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.897 0.379 . . . . 0.0 110.062 177.883 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.571 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 4.2 t80 -62.44 -54.23 43.25 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.113 179.386 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . 0.584 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.3 pp -77.35 -27.35 52.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.382 -179.33 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 409' ' ' LEU . . . . . 0.516 ' O ' ' HB2' ' A' ' 413' ' ' HIS . 5.0 tt -61.48 -45.08 95.75 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 175.339 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 410' ' ' ASN . . . . . 0.445 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 14.2 t-20 -59.4 -47.36 85.73 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.376 177.581 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 411' ' ' SER . . . . . 0.411 ' HA ' ' HG2' ' A' ' 414' ' ' ARG . 23.8 p -65.85 -48.76 70.52 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -177.049 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.714 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 4.4 pp -69.1 -20.66 64.07 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 119.892 -0.723 . . . . 0.0 110.973 177.056 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . 0.516 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 17.5 t-160 -73.76 -42.12 61.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.218 176.046 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 414' ' ' ARG . . . . . 0.445 ' HG2' ' O ' ' A' ' 410' ' ' ASN . 13.6 ptm180 -76.69 -8.86 58.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.842 0.353 . . . . 0.0 111.104 179.59 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -67.45 -21.79 65.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.997 169.859 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.47 HD11 ' HD2' ' A' ' 413' ' ' HIS . 54.6 mt -83.16 21.84 1.05 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.774 -178.631 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -118.22 146.04 44.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.173 178.801 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 88.32 -112.03 3.85 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.815 -179.285 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -110.57 89.3 0.54 Allowed Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 177.356 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 56.6 mt -61.1 107.53 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.222 0.534 . . . . 0.0 111.819 -175.16 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -121.64 34.04 5.32 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 122.176 0.989 . . . . 0.0 108.825 174.892 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . 0.756 ' HB3' ' HB2' ' A' ' 425' ' ' LYS . 2.6 m-20 -149.93 84.02 1.4 Allowed 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 113.385 -1.734 . . . . 0.0 110.548 -175.726 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -81.59 -29.75 33.21 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 176.328 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 424' ' ' SER . . . . . 0.547 ' O ' ' HG2' ' A' ' 428' ' ' ARG . 70.9 m -70.13 -18.54 63.23 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.021 178.266 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . 0.756 ' HB2' ' HB3' ' A' ' 422' ' ' ASP . 0.9 OUTLIER -64.08 -33.33 75.51 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.243 0.544 . . . . 0.0 109.923 174.27 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 426' ' ' GLU . . . . . 0.653 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 44.5 tt0 -75.25 -39.12 60.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.467 178.577 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . 0.455 ' OE2' ' HA ' ' A' ' 424' ' ' SER . 34.6 mt-10 -60.25 -31.38 70.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.817 172.815 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 428' ' ' ARG . . . . . 0.547 ' HG2' ' O ' ' A' ' 424' ' ' SER . 12.3 mmm180 -74.07 -45.44 49.37 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.278 -178.271 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.3 pp -60.8 -31.81 71.19 Favored 'General case' 0 C--O 1.224 -0.26 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.319 179.248 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -72.05 -37.11 69.75 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 120.743 0.306 . . . . 0.0 110.989 179.805 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.501 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 5.5 tp10 -62.63 -54.54 38.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.451 0.643 . . . . 0.0 109.548 179.721 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 8.2 p -66.72 -32.84 59.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.982 -179.378 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . 0.534 ' HB2' ' O ' ' A' ' 429' ' ' LEU . 5.2 tp-100 -59.43 -50.8 72.54 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.399 0.619 . . . . 0.0 109.966 179.216 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 434' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 4.5 ptm180 -64.59 -33.61 76.32 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.666 -174.809 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 435' ' ' ILE . . . . . . . . . . . . . 83.5 mt -68.4 -56.06 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.019 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . 0.478 HD12 ' N ' ' A' ' 437' ' ' THR . 4.5 pp -64.1 -34.21 77.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.811 -177.848 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 437' ' ' THR . . . . . 0.478 ' N ' HD12 ' A' ' 436' ' ' LEU . 84.0 m -67.29 -48.32 68.0 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.695 -0.23 . . . . 0.0 110.737 178.313 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.94 -43.38 98.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.805 0.336 . . . . 0.0 111.075 -178.072 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.557 HD23 ' HB ' ' A' ' 398' ' ' ILE . 36.4 tp -72.32 -50.23 28.47 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.48 -175.776 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 440' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 436' ' ' LEU . 62.1 pttt -66.9 -28.19 68.11 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.651 -173.689 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 -82.36 -38.5 24.09 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.57 0.224 . . . . 0.0 111.088 -179.496 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -73.58 -27.64 61.42 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.797 177.565 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 439' ' ' LEU . 0.2 OUTLIER -78.12 -51.01 10.91 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.991 -179.886 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -78.06 -43.17 29.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.814 -172.74 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -84.5 34.42 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.928 0.394 . . . . 0.0 111.023 -174.016 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.569 -0.729 . . . . 0.0 110.113 177.64 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.655 0 N-CA-C 111.781 -0.528 . . . . 0.0 111.781 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 2.0 p -89.26 -46.15 8.99 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.681 0.276 . . . . 0.0 111.495 -179.681 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . 0.411 ' HB2' HD12 ' A' ' 443' ' ' LEU . 32.5 mt-10 -123.07 -157.52 0.75 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.685 179.745 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 31.8 p -66.12 99.48 0.52 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 121.262 0.553 . . . . 0.0 112.27 -173.127 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -71.27 -26.95 63.11 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 173.734 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -70.63 -16.38 62.82 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.237 172.283 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.23 -55.03 28.45 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.7 176.875 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.56 HD13 HD11 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -67.32 -33.88 65.47 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.846 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.007 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . 0.632 ' O ' ' HG3' ' A' ' 403' ' ' ARG . 0.2 OUTLIER -58.86 -44.52 91.05 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.294 178.568 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -63.82 -57.1 10.92 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-O 121.195 0.521 . . . . 0.0 110.102 175.27 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 401' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 47.6 mt-10 -55.95 -49.27 73.99 Favored 'General case' 0 C--O 1.213 -0.839 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.919 -178.208 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 402' ' ' ILE . . . . . 0.56 HD11 HD13 ' A' ' 398' ' ' ILE . 12.2 tt -60.08 -33.99 55.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -173.755 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.632 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 69.8 mtm180 -59.77 -47.68 84.7 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 120.269 -0.572 . . . . 0.0 109.457 174.619 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -77.93 -30.61 50.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.281 -178.43 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 405' ' ' GLN . . . . . 0.459 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 98.5 mt-30 -71.78 -46.79 57.18 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.553 179.355 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -69.96 -22.78 63.13 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.534 -0.466 . . . . 0.0 109.916 176.333 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.503 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.9 t80 -63.69 -54.23 38.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.446 174.353 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . 0.497 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.3 pp -71.08 -31.17 67.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.057 177.683 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 409' ' ' LEU . . . . . 0.427 ' N ' HD11 ' A' ' 408' ' ' LEU . 6.5 tt -59.14 -50.94 72.13 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 175.795 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 410' ' ' ASN . . . . . 0.478 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 8.4 t30 -61.4 -41.69 97.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.242 177.184 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 39.9 t -57.97 -58.15 9.68 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.062 179.116 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.62 ' O ' ' HB2' ' A' ' 415' ' ' ASP . 4.5 pp -69.52 -18.73 63.7 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.988 -179.813 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . 0.431 ' O ' ' HG3' ' A' ' 417' ' ' GLN . 19.6 t-160 -75.03 -32.92 61.69 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 173.877 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 414' ' ' ARG . . . . . 0.478 ' HG2' ' O ' ' A' ' 410' ' ' ASN . 36.3 mmt180 -63.35 -30.72 71.8 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.292 176.525 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 415' ' ' ASP . . . . . 0.62 ' HB2' ' O ' ' A' ' 412' ' ' LEU . 0.4 OUTLIER -45.03 -47.39 11.64 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.955 174.501 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.512 ' HA ' ' HB ' ' A' ' 420' ' ' ILE . 0.4 OUTLIER -103.34 25.8 9.14 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.336 -174.84 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . 0.431 ' HG3' ' O ' ' A' ' 413' ' ' HIS . 44.6 mt-30 -118.31 159.97 22.47 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.891 0.376 . . . . 0.0 111.114 178.809 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 91.45 -34.63 4.24 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.933 -178.503 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 150.13 45.06 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 179.41 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 420' ' ' ILE . . . . . 0.512 ' HB ' ' HA ' ' A' ' 416' ' ' LEU . 17.7 mm -124.4 151.19 29.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 -175.681 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -117.15 99.29 6.94 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.855 0.36 . . . . 0.0 110.474 176.746 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . 0.459 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 9.9 t0 -135.94 108.68 7.52 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 177.777 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 92.1 mt -85.92 -20.0 29.66 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.165 -176.795 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 16.1 t -67.06 -46.89 72.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.51 -177.932 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . 0.475 ' HB2' ' CD2' ' A' ' 416' ' ' LEU . 15.9 mmtm -71.81 -28.18 63.42 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.805 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 426' ' ' GLU . . . . . 0.641 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 34.9 tt0 -66.48 -49.22 67.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.383 -178.526 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.32 -24.14 62.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.151 0.5 . . . . 0.0 110.035 177.649 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -76.68 -44.95 31.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.428 -178.685 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . 0.641 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.2 pp -59.99 -34.2 73.0 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.084 0.469 . . . . 0.0 109.751 177.267 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -72.53 -29.47 63.62 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.181 179.806 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.608 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 37.3 tt0 -77.09 -44.41 30.66 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.864 179.627 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.456 HG13 ' HA ' ' A' ' 429' ' ' LEU . 10.8 p -68.63 -28.82 41.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 C-N-CA 120.327 -0.549 . . . . 0.0 109.925 177.425 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -67.38 -45.74 75.36 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.362 178.471 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 434' ' ' ARG . . . . . 0.608 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 35.8 ptt180 -63.98 -32.37 73.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.566 -177.945 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 435' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 431' ' ' GLU . 73.9 mt -66.82 -55.42 18.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.739 -0.21 . . . . 0.0 111.14 178.623 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . 0.417 HD12 ' N ' ' A' ' 437' ' ' THR . 4.5 pp -62.38 -32.02 72.77 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.786 0.327 . . . . 0.0 110.67 -179.008 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 437' ' ' THR . . . . . 0.775 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 70.6 m -68.79 -56.25 8.62 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.362 178.052 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -62.34 -42.27 99.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.077 -176.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.508 ' O ' ' HB2' ' A' ' 443' ' ' LEU . 38.3 tp -57.33 -57.5 12.36 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.388 -178.494 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 440' ' ' LYS . . . . . 0.775 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 59.3 pttt -61.17 -35.8 78.09 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.83 0.348 . . . . 0.0 111.569 -175.044 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 441' ' ' ARG . . . . . 0.471 ' HG2' ' O ' ' A' ' 437' ' ' THR . 10.4 mmm180 -74.05 -50.02 21.55 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -177.684 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -75.01 -9.65 58.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.312 -178.375 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . 0.508 ' HB2' ' O ' ' A' ' 439' ' ' LEU . 9.5 tp -98.05 -20.21 17.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.167 0.508 . . . . 0.0 110.599 177.682 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -98.16 -52.8 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.145 179.266 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -80.89 -7.77 59.56 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.453 -171.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.365 -0.826 . . . . 0.0 110.247 -179.135 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.481 0 N-CA-C 112.0 -0.44 . . . . 0.0 112.0 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 29.5 t -84.71 -43.08 14.64 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.789 0.328 . . . . 0.0 110.521 -178.263 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -93.71 105.84 17.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.567 -176.036 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 3.3 p -98.88 104.51 16.56 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.359 0.6 . . . . 0.0 111.314 -179.772 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -65.64 -40.93 93.05 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.607 178.384 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -69.44 -16.29 63.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.421 176.347 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.7 -60.27 7.59 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.655 178.899 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.503 HD11 HD13 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -63.15 -36.78 77.36 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.665 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.449 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . 0.635 ' O ' ' HG3' ' A' ' 403' ' ' ARG . 0.9 OUTLIER -58.64 -50.47 73.74 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 120.886 -0.326 . . . . 0.0 111.687 -179.404 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -69.35 -47.83 63.15 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-O 121.1 0.476 . . . . 0.0 110.448 179.777 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 401' ' ' GLU . . . . . 0.45 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 48.7 mt-10 -60.14 -44.34 95.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.962 -179.085 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 402' ' ' ILE . . . . . 0.577 HD11 ' HZ2' ' A' ' 440' ' ' LYS . 12.1 tt -66.37 -30.35 49.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.87 -176.664 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.635 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 76.9 mtt180 -56.47 -51.04 69.94 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 173.739 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . 0.444 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 13.3 mmt180 -75.24 -39.57 59.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.764 -176.568 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 405' ' ' GLN . . . . . 0.532 ' NE2' ' HB3' ' A' ' 436' ' ' LEU . 27.6 mt-30 -68.07 -43.09 79.41 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -178.351 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . 0.499 ' HA ' ' HB3' ' A' ' 409' ' ' LEU . 73.1 mt-10 -76.65 -19.18 58.06 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.162 176.911 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.568 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 4.3 t80 -63.72 -59.03 5.1 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 173.114 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . 0.718 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.0 pp -68.35 -28.43 67.12 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.676 179.052 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 409' ' ' LEU . . . . . 0.499 ' HB3' ' HA ' ' A' ' 406' ' ' GLU . 51.7 tp -60.17 -44.72 94.8 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 174.718 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -66.46 -35.66 80.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.318 176.845 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 47.3 m -63.68 -58.07 8.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.795 177.644 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.718 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 2.0 pp -71.25 -11.16 60.77 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 -177.141 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . 0.458 ' CD2' HD23 ' A' ' 429' ' ' LEU . 7.1 m170 -78.73 -30.94 46.12 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.069 0.461 . . . . 0.0 109.879 171.355 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 -82.97 -7.65 59.64 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.167 0.508 . . . . 0.0 110.028 173.051 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 415' ' ' ASP . . . . . 0.637 ' O ' HG23 ' A' ' 420' ' ' ILE . 84.9 m-20 -83.01 -4.8 58.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.284 169.957 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 412' ' ' LEU . 97.6 mt -109.08 32.06 5.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.798 0.332 . . . . 0.0 111.004 -177.535 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -72.21 178.26 3.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.032 0.444 . . . . 0.0 111.422 179.051 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -63.38 124.46 31.72 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.685 -178.251 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 106.57 -6.21 38.33 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.888 179.847 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 420' ' ' ILE . . . . . 0.637 HG23 ' O ' ' A' ' 415' ' ' ASP . 49.0 mm -89.84 133.07 32.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.898 0.38 . . . . 0.0 110.881 -179.606 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 29.4 mtmm -122.61 44.92 2.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.862 0.839 . . . . 0.0 109.632 178.697 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . 0.475 ' H ' HG22 ' A' ' 420' ' ' ILE . 4.1 m-20 -103.88 94.44 5.42 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.712 -1.131 . . . . 0.0 111.484 -175.2 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.44 -17.13 49.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.63 -179.87 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 14.1 t -61.7 -42.46 98.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.101 0.477 . . . . 0.0 110.116 177.753 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . 0.428 ' HD3' ' HB3' ' A' ' 415' ' ' ASP . 54.1 mttm -70.41 -29.61 66.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.49 178.4 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 426' ' ' GLU . . . . . 0.674 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 9.6 tp10 -65.38 -53.14 47.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.245 -178.093 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -66.22 -29.83 70.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.437 177.822 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -70.68 -44.44 66.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.674 -177.409 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . 0.674 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 3.9 pp -63.26 -37.92 89.14 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.465 -178.579 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -70.04 -34.73 73.62 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.788 -178.624 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.613 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 5.5 tp10 -62.21 -51.81 66.3 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.398 0.618 . . . . 0.0 109.935 178.539 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 14.7 p -69.83 -34.17 59.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.572 -179.442 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -64.3 -48.77 74.38 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.018 179.617 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 434' ' ' ARG . . . . . 0.613 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 7.4 ptm180 -60.4 -36.65 78.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.41 -175.626 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 435' ' ' ILE . . . . . . . . . . . . . 86.7 mt -67.71 -57.56 9.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.312 179.412 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . 0.532 ' HB3' ' NE2' ' A' ' 405' ' ' GLN . 4.3 pp -59.98 -34.35 73.19 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 121.154 -0.218 . . . . 0.0 110.616 -178.169 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 437' ' ' THR . . . . . 0.703 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 77.3 m -71.87 -54.93 8.55 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.202 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -65.26 -35.93 82.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.714 0.292 . . . . 0.0 111.1 -174.695 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.499 HD21 ' HB ' ' A' ' 398' ' ' ILE . 31.9 tp -66.42 -52.92 41.55 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.411 -178.352 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 440' ' ' LYS . . . . . 0.703 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 59.9 pttt -64.66 -29.74 70.74 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 120.576 -0.449 . . . . 0.0 111.098 -176.376 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 441' ' ' ARG . . . . . 0.524 ' HG2' ' O ' ' A' ' 437' ' ' THR . 38.6 mmt180 -73.51 -46.0 50.49 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.413 179.6 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -75.97 -12.87 60.22 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.84 0.352 . . . . 0.0 111.3 -179.133 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 22.9 tp -98.54 -19.6 17.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.988 -179.459 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 24.8 ttt180 -109.84 -51.79 2.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.021 0.438 . . . . 0.0 111.569 -178.187 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -127.48 39.03 3.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.503 -167.301 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.349 -0.834 . . . . 0.0 110.772 178.01 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.614 0 N-CA-C 112.1 -0.4 . . . . 0.0 112.1 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 49.0 m -103.33 -3.54 25.43 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.973 0.416 . . . . 0.0 110.624 -178.158 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -78.68 135.91 37.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.421 -179.898 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 22.8 p -134.11 66.56 1.54 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.633 0.73 . . . . 0.0 110.896 173.92 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . 0.61 ' O ' ' HD3' ' A' ' 399' ' ' LYS . 30.3 mm-40 -66.89 -41.48 87.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.369 175.594 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -62.68 -25.26 68.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.689 173.727 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.58 -60.1 7.42 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.194 -0.912 . . . . 0.0 112.237 179.376 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.487 ' HB ' HD23 ' A' ' 439' ' ' LEU . 0.0 OUTLIER -64.73 -32.88 59.9 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.578 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 -177.271 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . 0.61 ' HD3' ' O ' ' A' ' 395' ' ' GLN . 2.1 mptm? -62.42 -49.4 75.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.075 0.464 . . . . 0.0 110.783 179.032 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -67.96 -47.0 69.83 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-O 121.454 0.645 . . . . 0.0 110.106 179.02 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -62.36 -46.08 90.26 Favored 'General case' 0 C--O 1.214 -0.798 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.053 -179.69 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 402' ' ' ILE . . . . . 0.805 HG13 HD11 ' A' ' 436' ' ' LEU . 11.6 tt -58.82 -28.34 37.5 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.336 0 CA-C-N 117.837 0.29 . . . . 0.0 110.42 -178.379 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.605 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 18.9 mtp180 -60.36 -57.25 13.58 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.548 -0.461 . . . . 0.0 109.829 173.235 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . 0.463 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 31.7 ptt180 -75.18 -21.22 58.89 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.605 -178.056 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 405' ' ' GLN . . . . . 0.508 ' HG3' HD23 ' A' ' 436' ' ' LEU . 11.6 mm100 -79.04 -53.12 7.33 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.729 -0.214 . . . . 0.0 111.043 -179.948 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . 0.427 ' O ' ' HB3' ' A' ' 410' ' ' ASN . 8.7 mm-40 -61.56 -24.93 66.99 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 175.087 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.605 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 7.0 t80 -60.56 -59.12 5.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.733 -1.122 . . . . 0.0 110.348 175.924 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . 0.539 HD11 ' N ' ' A' ' 409' ' ' LEU . 2.4 pp -75.49 -28.69 59.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.936 -179.086 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 409' ' ' LEU . . . . . 0.539 ' N ' HD11 ' A' ' 408' ' ' LEU . 7.4 tt -61.87 -48.64 79.61 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 176.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 410' ' ' ASN . . . . . 0.483 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 0.0 OUTLIER -61.86 -39.24 91.2 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 177.952 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 35.4 t -60.95 -58.9 6.48 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.565 179.825 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.707 ' HB2' ' HE3' ' A' ' 425' ' ' LYS . 4.4 pp -67.92 -19.85 65.03 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.044 -178.779 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . 0.459 ' HD2' HD12 ' A' ' 416' ' ' LEU . 19.6 t-160 -74.13 -28.64 61.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.067 0.46 . . . . 0.0 109.974 175.438 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 414' ' ' ARG . . . . . 0.483 ' HG2' ' O ' ' A' ' 410' ' ' ASN . 13.5 mmt180 -71.23 -29.83 65.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.98 175.584 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 415' ' ' ASP . . . . . 0.428 ' CB ' ' HE2' ' A' ' 425' ' ' LYS . 34.6 m-20 -68.83 4.08 1.65 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.849 178.461 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.544 HD23 ' HB2' ' A' ' 425' ' ' LYS . 83.8 mt -108.74 -1.81 19.09 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.891 0.377 . . . . 0.0 110.702 176.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -127.47 155.48 43.64 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.231 0.539 . . . . 0.0 111.199 -174.793 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 100.72 25.16 8.74 Favored Glycine 0 N--CA 1.444 -0.83 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.402 -177.738 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 79.68 30.08 45.51 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.622 -177.246 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 48.6 mm -105.84 135.84 42.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 -178.026 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -110.38 122.51 47.87 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.156 0.503 . . . . 0.0 110.155 177.895 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -165.37 137.96 4.33 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.502 178.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.8 mp -113.04 -12.39 13.21 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.312 -177.625 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 424' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 428' ' ' ARG . 42.7 m -86.95 -31.87 20.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.608 0.242 . . . . 0.0 110.933 -174.256 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . 0.707 ' HE3' ' HB2' ' A' ' 412' ' ' LEU . 21.6 mmmt -70.12 -29.91 66.97 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.758 -0.831 . . . . 0.0 108.758 175.102 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 426' ' ' GLU . . . . . 0.637 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 0.5 OUTLIER -66.97 -50.88 60.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.258 179.194 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -60.82 -29.89 69.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.587 175.684 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 428' ' ' ARG . . . . . 0.438 ' O ' HG21 ' A' ' 432' ' ' VAL . 34.9 ttm-85 -74.34 -46.76 38.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.727 -174.913 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . 0.678 ' HB3' HD13 ' A' ' 412' ' ' LEU . 4.1 pp -61.83 -33.15 73.62 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 120.796 0.332 . . . . 0.0 110.307 178.605 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -68.44 -36.49 79.1 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 120.699 -0.401 . . . . 0.0 110.203 -179.371 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.635 ' HA ' ' HG2' ' A' ' 434' ' ' ARG . 26.2 tt0 -67.77 -43.65 79.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.048 176.593 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.438 HG21 ' O ' ' A' ' 428' ' ' ARG . 58.2 t -57.48 -45.62 85.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.893 0.377 . . . . 0.0 110.002 176.76 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -64.28 -49.94 69.88 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.776 -179.267 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 434' ' ' ARG . . . . . 0.635 ' HG2' ' HA ' ' A' ' 431' ' ' GLU . 18.6 ptt180 -63.12 -33.2 74.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.196 -175.46 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 435' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 431' ' ' GLU . 68.2 mt -68.03 -48.06 76.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.831 176.703 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . 0.805 HD11 HG13 ' A' ' 402' ' ' ILE . 96.0 mt -58.7 -45.76 88.78 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 120.72 0.295 . . . . 0.0 110.594 178.95 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 437' ' ' THR . . . . . 0.637 ' O ' ' HG2' ' A' ' 441' ' ' ARG . 53.9 m -58.63 -62.71 1.66 Allowed 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.583 176.714 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . 0.587 ' O ' ' HD3' ' A' ' 442' ' ' LYS . . . -60.04 -32.61 71.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.588 -174.111 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.487 HD23 ' HB ' ' A' ' 398' ' ' ILE . 25.1 tp -63.08 -61.75 2.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.743 -176.297 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 440' ' ' LYS . . . . . 0.434 ' HB3' HG23 ' A' ' 398' ' ' ILE . 60.5 pttt -65.25 -37.85 88.49 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -173.295 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 441' ' ' ARG . . . . . 0.637 ' HG2' ' O ' ' A' ' 437' ' ' THR . 13.7 mmm180 -59.4 -52.9 63.64 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.956 0.408 . . . . 0.0 110.675 -177.977 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . 0.587 ' HD3' ' O ' ' A' ' 438' ' ' ALA . 3.8 mptp? -76.36 -36.61 58.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.076 -177.516 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . 0.435 ' HB2' ' O ' ' A' ' 439' ' ' LEU . 11.1 mp -88.07 9.49 22.37 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -175.923 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -112.07 -68.03 0.96 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.145 0.498 . . . . 0.0 110.66 170.743 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -109.14 35.14 3.38 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.281 -165.487 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . 0.465 ' HB1' ' O ' ' A' ' 442' ' ' LYS . . . . . . . . 0 C--O 1.243 0.748 0 CA-C-O 118.531 -0.747 . . . . 0.0 109.763 175.224 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.752 0 N-CA-C 112.018 -0.433 . . . . 0.0 112.018 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 19.6 m 63.14 -85.34 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 123.454 0.701 . . . . 0.0 111.283 -178.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . 0.791 ' HB3' HD21 ' A' ' 443' ' ' LEU . 7.1 tp10 -93.81 -15.11 25.43 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.199 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 15.1 m 71.83 124.84 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.344 -0.843 . . . . 0.0 111.739 178.114 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . 0.486 ' OE1' ' HB2' ' A' ' 444' ' ' ARG . 25.6 tp60 -61.89 -39.76 93.09 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.329 0.585 . . . . 0.0 109.526 175.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -63.5 -17.29 62.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.879 174.68 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.5 -57.41 13.0 Favored Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.654 179.632 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.707 ' O ' ' HB ' ' A' ' 402' ' ' ILE . 6.2 tp -69.86 -22.0 24.5 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.503 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 178.299 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . 0.459 ' HD3' ' HA ' ' A' ' 399' ' ' LYS . 15.8 tppt? -58.77 -58.42 8.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.605 0.24 . . . . 0.0 110.619 174.495 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -69.98 -38.48 76.06 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 120.986 0.422 . . . . 0.0 110.974 -179.946 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 401' ' ' GLU . . . . . 0.58 ' HB2' ' HA ' ' A' ' 398' ' ' ILE . 59.4 mm-40 -55.61 -49.27 73.25 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.212 174.438 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 402' ' ' ILE . . . . . 0.707 ' HB ' ' O ' ' A' ' 398' ' ' ILE . 0.3 OUTLIER -61.89 -30.26 48.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.371 -176.535 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.559 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 57.6 mtt180 -57.77 -53.44 58.13 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 174.122 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 34.5 mtm105 -70.68 -43.24 69.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.497 -179.273 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 405' ' ' GLN . . . . . 0.455 ' NE2' ' HB3' ' A' ' 401' ' ' GLU . 75.5 mt-30 -65.81 -45.17 83.34 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -178.275 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . 0.423 ' HA ' ' HB3' ' A' ' 409' ' ' LEU . 36.3 mt-10 -75.44 -18.4 59.9 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.627 178.49 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.559 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 4.5 t80 -65.31 -55.74 16.56 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 174.818 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . 0.554 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.8 pp -71.68 -29.09 64.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.769 178.132 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 409' ' ' LEU . . . . . 0.548 ' HA ' HD11 ' A' ' 412' ' ' LEU . 6.4 tt -60.53 -46.9 88.45 Favored 'General case' 0 CA--C 1.523 -0.086 0 N-CA-C 109.03 -0.729 . . . . 0.0 109.03 175.431 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -58.45 -39.94 81.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.952 178.444 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 20.8 m -59.86 -45.97 90.77 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 120.797 0.332 . . . . 0.0 111.204 177.508 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.556 ' HB2' ' HB3' ' A' ' 429' ' ' LEU . 9.3 mt -64.96 -44.97 87.66 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-O 121.985 0.898 . . . . 0.0 109.834 177.037 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -62.89 -38.1 89.57 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.127 -1.397 . . . . 0.0 111.207 -177.304 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 414' ' ' ARG . . . . . 0.489 ' HA ' ' NE ' ' A' ' 414' ' ' ARG . 3.4 mmp_? -82.81 -19.12 38.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.343 -179.468 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 415' ' ' ASP . . . . . 0.482 ' CG ' ' HZ1' ' A' ' 425' ' ' LYS . 12.3 t70 -58.56 -41.74 86.33 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.354 0.597 . . . . 0.0 109.89 177.005 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 19.6 mt -63.88 -29.69 70.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.761 -179.741 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . 0.511 ' HB2' HG12 ' A' ' 420' ' ' ILE . 45.9 mt-30 52.23 -98.25 0.07 Allowed 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.394 -177.014 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -126.35 -48.59 0.19 Allowed Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.697 178.227 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -141.16 36.18 1.76 Allowed Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.614 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 420' ' ' ILE . . . . . 0.511 HG12 ' HB2' ' A' ' 417' ' ' GLN . 32.3 mm -73.33 135.22 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 178.574 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 50.1 mttp -82.28 73.41 9.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.187 -177.722 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . 0.484 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 16.3 t0 -140.51 114.31 8.9 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 174.323 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . 0.402 ' N ' HD21 ' A' ' 423' ' ' LEU . 2.7 mm? -99.76 -13.15 19.4 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.226 0.536 . . . . 0.0 110.168 -177.186 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 32.7 t -75.37 -39.9 58.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.112 -176.8 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . 0.484 ' HG2' ' OD1' ' A' ' 422' ' ' ASP . 22.9 mmtp -62.89 -33.75 75.96 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.296 178.385 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 426' ' ' GLU . . . . . 0.552 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 0.7 OUTLIER -67.57 -52.93 32.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.822 -176.547 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -62.4 -30.11 70.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.788 177.571 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -77.59 -49.12 15.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.423 -176.289 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . 0.556 ' HB3' ' HB2' ' A' ' 412' ' ' LEU . 4.2 pp -58.63 -34.99 71.8 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.559 176.107 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -74.44 -33.74 63.02 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 120.454 -0.499 . . . . 0.0 111.108 179.47 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.619 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 41.5 tt0 -60.97 -54.49 44.29 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.104 0.478 . . . . 0.0 110.128 178.347 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.495 HG22 HD12 ' A' ' 408' ' ' LEU . 11.9 p -67.49 -33.03 59.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.703 179.397 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -62.95 -47.19 84.29 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.177 179.066 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 434' ' ' ARG . . . . . 0.619 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 4.9 ptm180 -66.33 -28.36 68.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.658 -175.234 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 435' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 431' ' ' GLU . 68.5 mt -70.32 -57.8 7.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.051 176.517 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . 0.596 ' HB2' HG13 ' A' ' 402' ' ' ILE . 4.5 pp -60.6 -31.14 70.32 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.098 -179.817 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 437' ' ' THR . . . . . 0.653 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 98.0 m -68.58 -56.48 8.14 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 176.82 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.2 -35.78 78.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.224 -176.427 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.695 HD23 HD11 ' A' ' 398' ' ' ILE . 42.9 tp -68.62 -54.35 16.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.018 -177.507 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 440' ' ' LYS . . . . . 0.653 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 56.9 pttt -61.3 -32.52 72.37 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.863 0.363 . . . . 0.0 110.75 -177.311 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 441' ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' ' 437' ' ' THR . 42.4 mmt180 -68.13 -61.61 1.78 Allowed 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.38 177.797 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . 1.08 ' HA ' ' HA ' ' A' ' 446' ' ' ALA . 0.4 OUTLIER -76.43 9.12 2.85 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -176.594 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . 0.791 HD21 ' HB3' ' A' ' 393' ' ' GLU . 0.2 OUTLIER -96.97 -45.83 6.44 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 172.479 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . 0.486 ' HB2' ' OE1' ' A' ' 395' ' ' GLN . 36.4 ttt180 -90.95 -59.92 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.119 -177.937 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -93.9 -38.48 11.19 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.433 -174.534 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . 1.08 ' HA ' ' HA ' ' A' ' 442' ' ' LYS . . . . . . . . 0 C--O 1.248 0.978 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.723 -179.648 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.599 0 N-CA-C 111.573 -0.611 . . . . 0.0 111.573 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 11.1 t -101.19 -89.07 0.36 Allowed 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -173.511 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . 0.438 ' HG2' HG23 ' A' ' 394' ' ' THR . 42.5 tt0 -124.38 -96.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.172 -0.611 . . . . 0.0 112.557 -168.825 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 394' ' ' THR . . . . . 0.438 HG23 ' HG2' ' A' ' 393' ' ' GLU . 9.7 p -86.77 75.51 9.62 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -170.197 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . 0.601 ' O ' ' HD3' ' A' ' 399' ' ' LYS . 2.1 mm-40 -72.63 -41.19 65.77 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 173.914 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -61.32 -28.3 69.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.685 173.757 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.9 -58.26 13.69 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.063 -0.971 . . . . 0.0 112.256 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.735 HD11 HD23 ' A' ' 439' ' ' LEU . 10.7 tp -69.8 -21.29 24.1 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 C-N-CA 120.626 -0.429 . . . . 0.0 110.605 -176.534 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . 0.601 ' HD3' ' O ' ' A' ' 395' ' ' GLN . 1.2 mptm? -67.82 -48.35 66.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.491 0.186 . . . . 0.0 111.013 178.457 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -62.39 -50.27 72.22 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 121.625 0.726 . . . . 0.0 109.912 176.237 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -58.77 -53.07 62.47 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 114.75 -1.113 . . . . 0.0 111.091 -178.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 402' ' ' ILE . . . . . 0.64 HG13 HD11 ' A' ' 436' ' ' LEU . 13.6 tt -60.26 -31.01 47.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -173.495 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.607 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 99.2 mtt180 -59.34 -55.36 35.77 Favored 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 120.46 -0.496 . . . . 0.0 109.895 174.003 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . 0.616 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 20.3 mtm180 -70.25 -38.09 75.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.075 -179.094 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 405' ' ' GLN . . . . . 0.425 ' HB2' ' HA ' ' A' ' 402' ' ' ILE . 13.8 mm100 -64.09 -52.69 58.04 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.473 -177.741 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -71.45 -19.89 62.17 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.512 179.537 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.607 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.4 t80 -67.18 -55.73 12.88 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 174.898 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 404' ' ' ARG . 2.7 pp -72.06 -27.86 62.96 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.079 178.777 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 409' ' ' LEU . . . . . 0.49 ' N ' HD12 ' A' ' 408' ' ' LEU . 7.1 tt -61.2 -49.85 75.5 Favored 'General case' 0 C--O 1.223 -0.294 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 175.402 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -61.52 -34.51 75.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.476 177.704 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 411' ' ' SER . . . . . 0.55 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 40.4 t -67.0 -57.56 6.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.818 178.171 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.789 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 4.5 pp -67.24 -19.82 65.58 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.817 -179.08 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . 0.476 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 15.0 t-160 -69.02 -40.59 78.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.475 175.396 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 414' ' ' ARG . . . . . 0.55 ' HG2' ' O ' ' A' ' 411' ' ' SER . 9.4 ptp85 -75.48 -14.42 60.43 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-O 121.167 0.508 . . . . 0.0 109.812 178.676 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -75.63 -3.7 35.94 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.647 176.716 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 94.6 mt -98.59 9.63 42.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.466 179.915 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -132.53 170.18 15.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.946 0.403 . . . . 0.0 111.39 -178.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 91.92 23.26 28.24 Favored Glycine 0 N--CA 1.448 -0.54 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.033 -179.868 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 90.9 12.38 60.52 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.417 -178.178 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 45.2 mm -94.14 115.06 32.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.791 0.329 . . . . 0.0 110.561 -178.651 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -99.19 69.59 1.72 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.949 0.404 . . . . 0.0 110.414 177.051 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -98.85 136.99 38.08 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.123 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.9 mp -103.25 -29.63 11.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.783 0.325 . . . . 0.0 110.543 -178.506 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 424' ' ' SER . . . . . 0.499 ' O ' ' HG2' ' A' ' 428' ' ' ARG . 67.5 p -64.52 -48.37 75.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.462 -174.396 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . 0.789 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 0.5 OUTLIER -60.92 -27.07 67.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.004 0.43 . . . . 0.0 111.479 -177.17 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 426' ' ' GLU . . . . . 0.606 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 33.4 tt0 -72.28 -49.23 36.4 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.315 0.579 . . . . 0.0 109.786 -179.057 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -63.47 -33.03 74.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.672 176.46 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 428' ' ' ARG . . . . . 0.52 ' O ' HG21 ' A' ' 432' ' ' VAL . 25.8 mmt180 -74.54 -39.1 62.53 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.304 -175.81 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 3.6 pp -62.62 -37.84 87.87 Favored 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 120.182 -0.607 . . . . 0.0 109.593 177.362 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -73.12 -34.17 65.97 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 120.536 -0.466 . . . . 0.0 109.758 179.478 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -61.03 -47.76 84.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.844 175.162 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.52 HG21 ' O ' ' A' ' 428' ' ' ARG . 89.9 t -60.44 -48.66 87.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.414 176.03 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -62.41 -43.38 98.96 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.165 -176.538 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 434' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -68.5 -34.39 75.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.75 -176.17 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 435' ' ' ILE . . . . . . . . . . . . . 70.9 mt -71.22 -46.62 64.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 178.186 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . 0.64 HD11 HG13 ' A' ' 402' ' ' ILE . 98.1 mt -54.33 -55.73 25.5 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.276 175.821 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 29.8 m -58.38 -55.57 33.34 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.514 -177.799 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -56.29 -47.68 78.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.63 0.252 . . . . 0.0 111.247 -176.256 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.735 HD23 HD11 ' A' ' 398' ' ' ILE . 36.0 tp -64.99 -56.87 10.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.343 -176.828 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 440' ' ' LYS . . . . . 0.538 ' HB3' HG12 ' A' ' 398' ' ' ILE . 21.6 ptmt -60.61 -34.05 73.65 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.967 0.413 . . . . 0.0 111.639 -174.341 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 441' ' ' ARG . . . . . 0.675 ' HD2' ' OE2' ' A' ' 445' ' ' GLU . 15.2 mmt180 -71.64 -45.96 60.46 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.398 -177.173 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -66.85 -21.48 66.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 0.0 111.294 176.144 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 94.0 mt -89.94 -16.1 30.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.651 -179.173 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -107.84 -46.36 3.81 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.886 178.269 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . 0.675 ' OE2' ' HD2' ' A' ' 441' ' ' ARG . 42.9 mt-10 -78.89 -2.52 40.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.922 0.391 . . . . 0.0 111.202 -174.384 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.001 -0.999 . . . . 0.0 109.4 174.719 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.469 0 N-CA-C 111.84 -0.504 . . . . 0.0 111.84 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 392' ' ' SER . . . . . 0.939 ' HB2' HD21 ' A' ' 443' ' ' LEU . 50.5 m -152.8 155.37 37.01 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 177.908 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -91.11 9.02 32.7 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.279 -173.593 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 18.8 p -79.95 64.61 4.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.236 0.541 . . . . 0.0 111.062 178.448 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -70.02 -35.08 74.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.777 177.471 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -62.53 -22.35 66.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.206 172.041 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.03 -63.53 4.85 Favored Glycine 0 N--CA 1.443 -0.887 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.289 178.065 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.494 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -71.82 -32.75 45.84 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.598 0 CA-C-N 115.688 -0.256 . . . . 0.0 110.62 -179.135 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.15 -43.36 99.0 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.874 -178.219 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 404' ' ' ARG . 37.4 tt0 -72.49 -44.7 61.91 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.341 177.122 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -61.62 -46.31 90.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.727 -179.183 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 402' ' ' ILE . . . . . . . . . . . . . 14.4 tt -65.16 -33.99 67.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 C-N-CA 122.056 0.143 . . . . 0.0 110.783 -177.16 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.58 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 61.9 mtp180 -60.87 -46.72 89.5 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 120.657 -0.417 . . . . 0.0 109.891 175.908 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 400' ' ' GLU . 55.1 mtt180 -71.61 -41.13 69.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.39 -179.711 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 405' ' ' GLN . . . . . 0.427 ' HB3' ' HB ' ' A' ' 432' ' ' VAL . 74.3 mt-30 -69.42 -45.2 69.73 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.71 -176.904 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . 0.537 ' HA ' ' HB3' ' A' ' 409' ' ' LEU . 53.2 mt-10 -73.0 -20.98 60.91 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.504 -0.479 . . . . 0.0 110.533 178.175 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.58 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.5 t80 -66.74 -53.11 36.79 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 174.858 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . 0.768 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.6 pp -71.45 -30.06 65.59 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.681 176.888 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 409' ' ' LEU . . . . . 0.582 ' HA ' HD12 ' A' ' 412' ' ' LEU . 3.2 tm? -56.91 -45.16 82.83 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 174.921 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -59.6 -42.94 93.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.077 175.294 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 22.7 t -60.92 -54.88 39.63 Favored 'General case' 0 C--O 1.218 -0.569 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.806 178.952 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.768 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 10.6 mt -51.63 -40.44 59.93 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 121.478 0.656 . . . . 0.0 110.512 -178.948 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -64.3 -29.97 71.04 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.698 178.653 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -86.48 -28.04 23.69 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.961 0.41 . . . . 0.0 110.434 175.093 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -69.03 -13.86 62.7 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.251 177.796 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 412' ' ' LEU . 95.6 mt -97.66 5.55 49.2 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.718 -179.24 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -128.25 173.09 10.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.03 0.443 . . . . 0.0 111.14 -179.349 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 89.23 17.47 55.55 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.607 -177.035 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 91.72 32.78 8.32 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.876 -0.678 . . . . 0.0 111.632 -177.699 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 40.1 mm -119.6 130.81 73.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.748 0.309 . . . . 0.0 110.762 -176.139 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -121.74 87.27 2.72 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 175.249 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . 0.589 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 14.5 t70 -111.25 138.38 47.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.388 -175.643 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.9 mp -94.68 -27.72 15.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.846 0.355 . . . . 0.0 110.95 -175.135 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 424' ' ' SER . . . . . 0.433 ' O ' ' HG2' ' A' ' 428' ' ' ARG . 22.7 t -68.17 -47.63 67.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.913 -179.122 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . 0.589 ' HG2' ' OD1' ' A' ' 422' ' ' ASP . 48.0 mmtt -56.82 -34.97 68.26 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.333 0.587 . . . . 0.0 110.253 -179.784 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 426' ' ' GLU . . . . . 0.685 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 7.2 tp10 -70.48 -51.33 29.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.096 -175.92 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -65.06 -29.61 70.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.414 178.598 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 428' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' A' ' 424' ' ' SER . 18.3 mmt180 -76.67 -41.26 46.27 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.517 -177.816 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . 0.685 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.3 pp -61.24 -34.62 75.44 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.695 177.399 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -80.82 -25.3 37.87 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.609 178.446 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.454 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 9.4 tp10 -62.03 -57.31 12.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.089 177.904 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.659 HG13 HD11 ' A' ' 408' ' ' LEU . 31.9 m -69.95 -32.85 53.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 C-N-CA 121.12 -0.232 . . . . 0.0 111.077 -178.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -61.37 -43.43 98.88 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.93 0.395 . . . . 0.0 110.43 -179.195 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 434' ' ' ARG . . . . . 0.454 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 29.1 ptt180 -72.21 -31.6 66.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.532 -179.731 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 435' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 431' ' ' GLU . 83.0 mt -70.79 -56.96 8.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.733 -0.212 . . . . 0.0 111.354 179.137 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . . . . . . . . . 4.5 pp -59.01 -32.7 69.95 Favored 'General case' 0 N--CA 1.461 0.082 0 C-N-CA 121.248 -0.181 . . . . 0.0 110.907 -177.034 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 437' ' ' THR . . . . . 0.772 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 41.6 m -74.75 -52.06 12.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.259 179.488 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.42 -38.43 87.1 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.779 0.323 . . . . 0.0 110.561 -178.406 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.675 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 29.9 tp -62.94 -61.17 2.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.047 -179.496 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 440' ' ' LYS . . . . . 0.772 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 58.1 pttt -59.62 -34.67 73.07 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.089 0.471 . . . . 0.0 111.725 -175.202 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -76.34 -39.86 52.83 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.524 -177.56 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -79.39 -11.74 59.92 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.314 179.424 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . 0.939 HD21 ' HB2' ' A' ' 392' ' ' SER . 71.3 mt -90.97 -46.47 8.14 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.059 177.325 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 21.3 tpp180 -96.61 -51.4 4.33 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -174.414 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -78.05 -29.45 49.27 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -173.264 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.98 -178.521 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.412 0 N-CA-C 111.633 -0.587 . . . . 0.0 111.633 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 9.5 t 58.43 35.17 24.56 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 121.431 0.634 . . . . 0.0 110.011 179.942 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . 0.471 ' H ' ' CD ' ' A' ' 393' ' ' GLU . 0.6 OUTLIER -87.41 56.74 4.08 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.335 -175.063 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 394' ' ' THR . . . . . 0.422 ' O ' HD12 ' A' ' 443' ' ' LEU . 2.0 m -73.07 100.09 2.93 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.803 177.653 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . 0.505 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 22.9 tp60 -59.45 -39.91 85.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.031 0.443 . . . . 0.0 109.957 178.429 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -66.36 -17.96 65.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.85 177.91 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -58.03 -56.6 24.29 Favored Glycine 0 N--CA 1.451 -0.363 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 -179.582 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.586 HD11 HD11 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -71.3 -36.07 60.2 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.861 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 177.854 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . 0.505 ' HG2' ' O ' ' A' ' 395' ' ' GLN . 24.8 mmtp -60.06 -46.6 89.02 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.853 -175.33 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -69.89 -44.45 69.72 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 120.857 0.361 . . . . 0.0 110.766 179.438 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -67.34 -38.67 85.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.911 -179.466 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 402' ' ' ILE . . . . . 0.586 HD11 HD11 ' A' ' 398' ' ' ILE . 14.8 tt -67.32 -33.49 63.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 -177.637 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.557 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 72.6 mtp180 -60.83 -43.33 98.39 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 175.024 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . 0.49 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 91.7 mtt180 -67.55 -50.17 59.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.587 176.179 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 405' ' ' GLN . . . . . 0.544 ' O ' ' HB2' ' A' ' 409' ' ' LEU . 28.9 mt-30 -63.03 -43.82 97.66 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.358 -175.639 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . 0.405 ' HG3' HG12 ' A' ' 402' ' ' ILE . 49.8 mt-10 -73.01 -27.49 61.81 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.875 178.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.557 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.5 t80 -66.29 -51.82 53.57 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 177.815 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . 0.662 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.2 pp -71.61 -30.24 65.57 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.453 176.947 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 409' ' ' LEU . . . . . 0.544 ' HB2' ' O ' ' A' ' 405' ' ' GLN . 6.0 tt -57.21 -54.27 48.65 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 108.706 -0.849 . . . . 0.0 108.706 175.019 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -52.05 -43.12 63.62 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.484 0.49 . . . . 0.0 110.859 177.864 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 19.3 m -62.85 -57.34 11.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.197 -178.338 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 3.7 pp -74.94 -16.11 60.66 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 121.068 0.461 . . . . 0.0 111.181 -178.095 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . 0.444 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 20.5 t-160 -72.42 -37.91 68.51 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 174.448 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -87.98 -5.79 58.34 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.023 179.44 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 415' ' ' ASP . . . . . 0.527 ' HB2' ' HA ' ' A' ' 412' ' ' LEU . 4.8 t70 -65.55 -25.41 67.42 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.646 0.736 . . . . 0.0 109.968 174.435 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 34.5 mt -69.88 -33.83 72.76 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.186 178.3 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . 0.601 ' HB2' HG12 ' A' ' 420' ' ' ILE . 17.3 mm-40 63.22 -70.5 0.06 Allowed 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 176.112 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 147.91 60.37 0.01 OUTLIER Glycine 0 N--CA 1.442 -0.937 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 -174.018 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 142.6 -15.79 2.45 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 111.521 -0.632 . . . . 0.0 111.521 -173.726 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 420' ' ' ILE . . . . . 0.601 HG12 ' HB2' ' A' ' 417' ' ' GLN . 42.8 mm -75.78 120.56 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 178.244 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -82.94 75.18 9.85 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.981 0.42 . . . . 0.0 110.801 -179.637 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . 0.515 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 9.9 t0 -127.26 112.81 15.51 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.744 175.926 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . 0.404 HD13 ' N ' ' A' ' 423' ' ' LEU . 6.5 mp -95.76 -22.57 17.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.117 -176.72 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 24.8 m -66.93 -35.67 80.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.382 -178.646 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . 0.546 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 0.2 OUTLIER -69.52 -28.83 66.37 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.648 177.09 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 426' ' ' GLU . . . . . 0.665 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 44.2 mt-10 -70.32 -52.43 22.76 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.254 0.549 . . . . 0.0 110.119 179.464 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -66.95 -20.3 65.87 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.513 -179.614 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 -82.37 -42.91 18.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.597 -179.306 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.3 pp -61.96 -36.11 80.46 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.967 0.413 . . . . 0.0 110.087 179.035 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 4.1 t90 -77.55 -31.24 53.16 Favored 'General case' 0 N--CA 1.438 -1.046 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.139 179.425 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.522 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 33.3 tt0 -64.77 -49.98 68.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.733 -179.605 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 16.1 m -69.89 -28.46 36.8 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.578 178.801 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -70.59 -48.03 57.28 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.755 0.312 . . . . 0.0 110.408 179.508 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 434' ' ' ARG . . . . . 0.522 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 35.1 ptt180 -61.77 -31.58 71.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.111 -178.445 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 435' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 431' ' ' GLU . 79.1 mt -72.91 -53.28 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.991 177.366 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . 0.468 ' HB3' ' NE2' ' A' ' 405' ' ' GLN . 4.6 pp -61.48 -32.49 72.51 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.823 0.344 . . . . 0.0 110.819 -177.615 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 437' ' ' THR . . . . . 0.485 ' O ' ' HG2' ' A' ' 441' ' ' ARG . 58.4 m -68.63 -57.71 5.33 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.872 178.389 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -63.84 -36.42 83.86 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.729 0.3 . . . . 0.0 111.239 -176.224 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.444 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 43.2 tp -60.71 -54.75 41.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.959 -178.734 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 440' ' ' LYS . . . . . 0.509 ' HB3' HG13 ' A' ' 398' ' ' ILE . 18.1 pttp -64.37 -27.5 69.05 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.869 0.366 . . . . 0.0 111.056 -177.098 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 441' ' ' ARG . . . . . 0.485 ' HG2' ' O ' ' A' ' 437' ' ' THR . 28.4 mmm180 -65.91 -51.55 57.65 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.486 177.436 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -72.41 -10.97 60.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.667 0.27 . . . . 0.0 111.654 -179.398 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 74.8 mt -93.15 -51.17 5.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.684 178.797 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 30.9 ttt180 -89.4 -37.93 14.48 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.399 -0.52 . . . . 0.0 112.085 -175.623 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -83.12 19.43 1.44 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.89 0.376 . . . . 0.0 111.368 -171.858 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.323 178.274 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.78 0 N-CA-C 112.597 -0.201 . . . . 0.0 112.597 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 46.9 m -108.11 81.24 1.46 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 177.166 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -57.9 -58.82 6.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.005 179.123 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -146.61 98.36 3.05 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 121.084 0.468 . . . . 0.0 110.934 176.307 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . 0.614 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 19.6 mm-40 -69.61 -35.18 75.06 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 174.389 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -64.5 -22.1 66.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.166 174.277 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.37 -59.24 10.25 Favored Glycine 0 N--CA 1.445 -0.748 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.652 -179.715 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.499 ' HB ' HD23 ' A' ' 439' ' ' LEU . 0.0 OUTLIER -67.06 -34.58 70.69 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.745 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 -177.588 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . 0.614 ' HG2' ' O ' ' A' ' 395' ' ' GLN . 33.9 mmtp -58.31 -53.32 59.61 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.308 -178.839 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -68.77 -44.76 73.03 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-O 121.502 0.668 . . . . 0.0 110.25 -179.045 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 401' ' ' GLU . . . . . 0.636 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 41.9 mt-10 -62.36 -45.77 91.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.215 179.499 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 402' ' ' ILE . . . . . 0.489 HD12 HD13 ' A' ' 398' ' ' ILE . 13.3 tt -65.4 -35.06 74.42 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.451 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -172.981 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.592 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 17.4 ptm180 -64.02 -39.24 93.65 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 119.231 -0.988 . . . . 0.0 109.777 176.83 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 -70.62 -38.9 73.99 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.239 174.545 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 405' ' ' GLN . . . . . 0.636 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 46.0 mt-30 -66.21 -54.59 23.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.448 179.701 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.29 -28.45 69.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.776 0.322 . . . . 0.0 110.137 179.307 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.592 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 4.8 t80 -63.08 -53.49 52.87 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.098 178.493 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . 0.543 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.0 pp -73.22 -31.46 64.17 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 178.868 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 409' ' ' LEU . . . . . 0.496 ' N ' HD11 ' A' ' 408' ' ' LEU . 5.6 tt -60.23 -48.59 81.09 Favored 'General case' 0 C--O 1.223 -0.342 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 177.427 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -55.43 -45.3 76.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.891 174.427 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 411' ' ' SER . . . . . 0.405 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 40.5 m -63.21 -52.92 60.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.309 -177.38 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.743 ' HB2' ' HB3' ' A' ' 425' ' ' LYS . 4.1 pp -71.47 -23.32 61.8 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.129 -179.845 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . 0.443 ' N ' HD13 ' A' ' 412' ' ' LEU . 11.8 t-160 -65.75 -40.69 92.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.769 0.318 . . . . 0.0 110.748 176.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 414' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 411' ' ' SER . 15.1 ptm180 -82.44 -16.66 48.09 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.083 -179.918 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -67.69 -21.25 65.33 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.12 175.302 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.496 HD21 ' HB2' ' A' ' 425' ' ' LYS . 45.8 mt -82.47 -9.24 59.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.834 177.056 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -121.7 172.6 8.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 -171.392 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 86.38 24.81 38.44 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.689 -0.767 . . . . 0.0 111.559 -179.389 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 82.94 45.59 6.62 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 121.077 -0.582 . . . . 0.0 112.358 -179.447 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 50.6 mm -121.74 131.39 73.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.523 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -97.77 76.32 2.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.594 0.711 . . . . 0.0 110.506 178.107 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . 0.465 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 11.8 t70 -126.13 136.93 53.48 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.845 178.44 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.3 mp -119.4 -7.71 10.16 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.527 0.68 . . . . 0.0 109.94 177.416 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 4.7 t -73.23 -40.77 64.42 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.862 -174.453 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . 0.743 ' HB3' ' HB2' ' A' ' 412' ' ' LEU . 21.0 mmtm -69.6 -23.44 63.52 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -179.541 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 426' ' ' GLU . . . . . 0.614 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 30.3 tt0 -72.53 -42.14 65.07 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 -178.57 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -64.05 -28.52 69.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.833 173.37 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 35.0 mmt180 -76.23 -43.98 39.65 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.336 -179.873 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.3 pp -62.48 -33.02 74.03 Favored 'General case' 0 CA--C 1.513 -0.451 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.608 -179.261 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -76.43 -34.13 58.77 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 120.037 -0.665 . . . . 0.0 110.262 179.149 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.64 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 43.6 tt0 -62.79 -53.73 49.76 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.224 178.498 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 9.0 p -66.48 -34.24 68.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.84 179.668 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -62.85 -48.92 76.97 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 120.925 0.393 . . . . 0.0 110.306 178.681 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 434' ' ' ARG . . . . . 0.64 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 11.5 ptm180 -64.21 -29.52 70.62 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.592 -175.037 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 435' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 431' ' ' GLU . 73.8 mt -71.15 -56.99 8.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.161 177.757 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . 0.457 HD12 ' N ' ' A' ' 437' ' ' THR . 4.3 pp -60.99 -35.79 77.76 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 120.638 0.256 . . . . 0.0 111.12 -177.937 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 437' ' ' THR . . . . . 0.457 ' N ' HD12 ' A' ' 436' ' ' LEU . 56.5 m -69.41 -52.57 25.61 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.159 178.951 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -65.05 -32.09 73.63 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 120.762 0.315 . . . . 0.0 110.773 -176.373 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.499 HD23 ' HB ' ' A' ' 398' ' ' ILE . 33.3 tp -65.69 -60.66 2.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.806 -177.226 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 440' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -62.35 -36.77 83.27 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.673 -175.734 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -70.25 -42.14 72.56 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.139 -177.7 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -69.5 -38.15 77.51 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 121.029 -0.268 . . . . 0.0 110.931 177.707 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 56.6 mt -76.15 -18.34 59.16 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -177.03 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -111.0 -44.55 3.58 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.401 -0.52 . . . . 0.0 112.245 -176.024 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -83.63 6.12 21.92 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -173.527 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.359 -0.829 . . . . 0.0 110.614 178.587 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 391' ' ' GLY . . . . . 0.511 ' O ' ' HA ' ' A' ' 444' ' ' ARG . . . . . . . . 0 N--CA 1.478 1.447 0 N-CA-C 111.858 -0.497 . . . . 0.0 111.858 . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 392' ' ' SER . . . . . 0.663 ' HB3' ' HG2' ' A' ' 395' ' ' GLN . 48.8 m -137.71 -51.26 0.62 Allowed 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.556 -0.165 . . . . 0.0 110.556 179.054 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . 0.458 ' HB3' HD23 ' A' ' 443' ' ' LEU . 17.0 tt0 57.62 -89.83 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 O-C-N 123.882 0.739 . . . . 0.0 111.111 -177.602 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 17.5 p -122.15 66.43 0.92 Allowed 'General case' 0 N--CA 1.442 -0.863 0 CA-C-O 121.061 0.457 . . . . 0.0 110.833 -177.574 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . 0.663 ' HG2' ' HB3' ' A' ' 392' ' ' SER . 28.3 mm-40 -62.24 -44.25 96.99 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 177.847 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -62.24 -23.39 66.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.169 175.299 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . 0.466 ' O ' ' HB2' ' A' ' 401' ' ' GLU . . . -61.1 -58.4 13.76 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.663 176.691 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.909 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -71.07 -33.63 52.15 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.379 0 O-C-N 123.452 0.148 . . . . 0.0 110.664 -179.278 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . 0.647 ' HG2' ' O ' ' A' ' 395' ' ' GLN . 34.1 mmtp -59.96 -59.55 5.25 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.576 -179.255 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -63.77 -43.31 96.76 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.059 0.457 . . . . 0.0 110.213 -178.289 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 401' ' ' GLU . . . . . 0.466 ' HB2' ' O ' ' A' ' 397' ' ' GLY . 10.4 tt0 -54.94 -54.66 39.91 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.362 175.65 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 402' ' ' ILE . . . . . 0.909 HD12 HD11 ' A' ' 398' ' ' ILE . 0.3 OUTLIER -58.19 -29.9 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 O-C-N 123.385 0.428 . . . . 0.0 111.4 -177.117 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.639 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 81.0 mtp180 -57.0 -52.97 63.13 Favored 'General case' 0 CA--C 1.521 -0.168 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 174.794 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . 0.415 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 20.8 mmm180 -75.92 -39.29 56.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.093 -179.671 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 405' ' ' GLN . . . . . 0.545 ' HB2' ' HA ' ' A' ' 402' ' ' ILE . 12.9 mm100 -61.96 -47.9 82.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.135 -179.36 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . 0.632 ' HA ' ' HB3' ' A' ' 409' ' ' LEU . 33.9 mt-10 -76.87 -18.78 58.13 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.507 178.236 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.639 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 4.6 t80 -67.19 -51.8 49.14 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 175.199 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . 0.678 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.2 pp -70.79 -32.13 69.13 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.317 176.33 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 409' ' ' LEU . . . . . 0.632 ' HB3' ' HA ' ' A' ' 406' ' ' GLU . 52.3 tp -59.15 -45.07 91.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.145 0.498 . . . . 0.0 109.673 174.544 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -60.27 -44.61 95.18 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.388 -0.823 . . . . 0.0 109.922 176.157 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 24.7 m -62.24 -57.39 11.63 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.249 -179.666 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.678 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 3.3 pp -67.8 -16.56 64.17 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -176.919 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . 0.435 ' HE2' HD11 ' A' ' 429' ' ' LEU . 5.3 m170 -70.02 -40.95 74.9 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 120.735 0.302 . . . . 0.0 110.803 173.37 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 414' ' ' ARG . . . . . 0.436 ' HA ' HE21 ' A' ' 417' ' ' GLN . 28.6 ptt180 -80.43 -13.77 58.85 Favored 'General case' 0 C--N 1.328 -0.37 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.401 178.185 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 415' ' ' ASP . . . . . 0.459 ' OD2' ' HA ' ' A' ' 412' ' ' LEU . 17.1 m-20 -69.56 -17.25 63.54 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.923 0.392 . . . . 0.0 110.148 172.434 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.437 HD22 ' HB2' ' A' ' 425' ' ' LYS . 44.4 mt -95.99 -1.75 48.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.248 176.959 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . 0.436 HE21 ' HA ' ' A' ' 414' ' ' ARG . 49.5 mt-30 -112.89 150.92 31.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.096 -175.407 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 99.65 18.03 24.34 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.485 -0.646 . . . . 0.0 111.485 -178.502 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 83.05 31.21 29.32 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.063 -179.035 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 32.9 mm -102.93 137.31 31.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.791 0.329 . . . . 0.0 110.453 -178.594 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -113.88 109.06 17.91 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.228 0.537 . . . . 0.0 109.898 176.312 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . 0.554 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 9.9 t70 -143.48 113.07 6.97 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.066 -177.977 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 91.1 mt -82.76 -14.48 54.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.199 -177.533 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 35.2 t -71.71 -53.32 13.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.944 -178.142 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . 0.554 ' HD3' ' OD1' ' A' ' 422' ' ' ASP . 12.1 mptt -62.53 -29.58 70.67 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.985 -179.217 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 426' ' ' GLU . . . . . 0.684 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 34.7 tt0 -68.58 -57.81 5.2 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.687 -176.33 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -62.97 -29.21 70.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.992 0.425 . . . . 0.0 110.423 177.421 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 428' ' ' ARG . . . . . 0.474 ' O ' HG12 ' A' ' 432' ' ' VAL . 17.9 ttt180 -73.31 -39.38 65.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.853 -178.306 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . 0.684 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 3.6 pp -64.11 -32.94 74.69 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.293 -179.939 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -77.07 -32.89 57.11 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.375 177.17 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.48 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 36.1 tt0 -60.37 -57.41 12.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.353 176.729 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.525 HG23 ' NE2' ' A' ' 405' ' ' GLN . 4.9 p -61.52 -38.44 80.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 179.5 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -63.37 -47.36 82.39 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.332 -177.978 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 434' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 2.4 ptm180 -69.42 -28.3 66.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.492 -175.587 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 435' ' ' ILE . . . . . . . . . . . . . 72.3 mt -74.43 -53.06 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.217 178.934 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . 0.67 ' HB2' HG13 ' A' ' 402' ' ' ILE . 4.4 pp -61.49 -33.17 73.32 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.672 0.272 . . . . 0.0 110.788 -179.822 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 437' ' ' THR . . . . . 0.493 ' N ' HD11 ' A' ' 436' ' ' LEU . 46.8 m -72.1 -55.97 6.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.817 177.876 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.02 -31.14 70.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.668 0.271 . . . . 0.0 111.052 -177.835 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.676 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 45.6 tp -63.57 -61.42 2.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.392 179.148 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 440' ' ' LYS . . . . . 0.518 ' HB3' HG13 ' A' ' 398' ' ' ILE . 56.3 pttt -62.61 -28.72 70.09 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.684 0.278 . . . . 0.0 111.522 -178.141 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -68.55 -56.5 8.11 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.167 176.956 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -56.18 -43.74 78.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.357 -179.747 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . 0.676 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 85.7 mt -59.53 -44.01 93.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.53 -179.382 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . 0.511 ' HA ' ' O ' ' A' ' 391' ' ' GLY . 98.3 mtt180 -83.7 -40.92 18.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.67 -175.233 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -74.54 -22.97 58.75 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.621 0.23 . . . . 0.0 111.621 -175.616 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.91 0 CA-C-O 118.609 -0.71 . . . . 0.0 110.046 175.498 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.803 0 N-CA-C 112.057 -0.417 . . . . 0.0 112.057 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 3.2 m -95.75 -52.26 4.16 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 177.919 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 62.9 9.82 3.95 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.756 175.693 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 2.7 p -85.86 76.96 9.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.773 0.321 . . . . 0.0 111.12 177.369 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . 0.54 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 0.1 OUTLIER -69.43 -29.27 66.95 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 -178.893 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -67.86 -18.64 64.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.17 0.51 . . . . 0.0 109.797 173.499 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.44 -58.62 11.62 Favored Glycine 0 N--CA 1.443 -0.9 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.41 177.175 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.495 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -66.38 -32.14 56.76 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.846 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.689 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' A' ' 395' ' ' GLN . 33.0 mmtp -58.63 -49.93 75.69 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.863 0.363 . . . . 0.0 111.02 179.717 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -66.2 -49.05 68.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.181 0.515 . . . . 0.0 110.355 178.784 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -64.67 -39.9 94.48 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.299 -176.916 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 402' ' ' ILE . . . . . 0.659 HG13 HD23 ' A' ' 436' ' ' LEU . 12.3 tt -66.83 -30.09 48.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 117.544 0.157 . . . . 0.0 110.811 -177.584 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.634 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 89.6 mtt180 -64.18 -46.95 81.7 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 177.142 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -68.77 -42.82 76.94 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.587 -1.188 . . . . 0.0 111.327 178.164 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 405' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -67.82 -46.05 72.94 Favored 'General case' 0 C--O 1.221 -0.398 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -177.436 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . 0.432 ' HA ' ' HB3' ' A' ' 409' ' ' LEU . 40.5 mt-10 -71.59 -20.55 61.98 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.211 177.236 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.634 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 9.1 t80 -67.83 -54.21 20.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.678 175.949 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . 0.671 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.3 pp -70.61 -30.63 67.35 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.364 177.563 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 409' ' ' LEU . . . . . 0.537 ' HG ' ' HB2' ' A' ' 429' ' ' LEU . 8.3 tt -57.71 -48.96 78.11 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 174.441 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -58.82 -42.27 88.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.03 176.222 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 31.2 m -62.28 -57.22 12.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.994 -179.662 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.671 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 3.9 pp -71.73 -15.73 62.2 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 111.035 -178.245 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . 0.466 ' HD2' HD11 ' A' ' 416' ' ' LEU . 15.7 t-160 -74.46 -37.14 63.3 Favored 'General case' 0 CA--C 1.516 -0.329 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 172.866 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 31.3 mtm180 -68.34 -22.54 64.68 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.494 177.163 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 415' ' ' ASP . . . . . 0.589 ' OD2' ' HA ' ' A' ' 412' ' ' LEU . 9.4 m-20 -64.5 -19.05 65.35 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.669 173.334 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.582 HD21 ' HB2' ' A' ' 425' ' ' LYS . 58.1 mt -92.46 -18.77 22.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.184 0.516 . . . . 0.0 110.921 -177.836 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -92.19 130.93 37.79 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.13 -171.306 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 116.89 33.69 1.35 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.414 -0.898 . . . . 0.0 112.59 179.581 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 71.3 28.94 69.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.9 -0.666 . . . . 0.0 112.49 -179.772 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 36.9 mm -92.17 126.64 44.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.648 0.261 . . . . 0.0 110.717 -178.073 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -93.96 86.44 5.04 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.19 0.519 . . . . 0.0 109.601 174.391 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -137.92 132.11 31.93 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.644 177.447 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 68.8 mt -111.35 -18.84 12.82 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.213 179.327 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 424' ' ' SER . . . . . 0.522 ' O ' ' HG3' ' A' ' 428' ' ' ARG . 79.5 p -63.57 -45.12 91.91 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.011 -177.355 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . 0.582 ' HB2' HD21 ' A' ' 416' ' ' LEU . 35.3 mmtp -67.09 -30.18 70.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.125 0.488 . . . . 0.0 110.523 178.825 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 426' ' ' GLU . . . . . 0.616 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 37.1 tt0 -73.62 -40.66 63.64 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.038 -177.099 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -65.26 -27.15 68.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.285 0.564 . . . . 0.0 109.564 174.624 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 428' ' ' ARG . . . . . 0.522 ' HG3' ' O ' ' A' ' 424' ' ' SER . 93.1 mtt180 -73.33 -45.43 55.31 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.203 -179.763 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . 0.667 ' HB3' ' CD1' ' A' ' 412' ' ' LEU . 4.0 pp -64.52 -36.13 83.2 Favored 'General case' 0 CA--C 1.51 -0.583 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.098 -178.93 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -76.12 -27.7 57.18 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.066 179.288 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.522 ' O ' HG13 ' A' ' 435' ' ' ILE . 10.0 tp10 -64.98 -58.13 6.91 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.944 177.828 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 17.3 m -64.13 -30.69 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.723 179.701 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -66.22 -49.27 67.8 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 178.888 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 434' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -71.08 -22.06 62.15 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.057 -177.671 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 435' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 431' ' ' GLU . 79.7 mt -71.07 -57.99 6.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.215 173.361 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . 0.659 HD23 HG13 ' A' ' 402' ' ' ILE . 4.5 pp -60.73 -30.02 69.72 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.704 0.288 . . . . 0.0 110.698 -179.742 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 437' ' ' THR . . . . . 0.614 ' O ' ' HG2' ' A' ' 441' ' ' ARG . 90.7 m -69.01 -59.65 2.9 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.686 176.542 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.35 -38.03 82.53 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 120.852 0.358 . . . . 0.0 110.951 -177.444 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 44.8 tp -59.66 -58.52 8.23 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.088 -179.224 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 440' ' ' LYS . . . . . 0.495 ' HB3' HG13 ' A' ' 398' ' ' ILE . 16.2 pttp -62.45 -29.46 70.54 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.722 0.296 . . . . 0.0 111.635 -174.402 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 441' ' ' ARG . . . . . 0.614 ' HG2' ' O ' ' A' ' 437' ' ' THR . 9.8 mmm180 -76.11 -51.47 12.15 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.401 178.679 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . 0.523 ' O ' ' HA ' ' A' ' 446' ' ' ALA . 4.7 mptp? -74.25 -7.56 53.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.999 0.428 . . . . 0.0 111.528 -178.541 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . 0.435 HD23 HE21 ' A' ' 395' ' ' GLN . 8.6 tt -94.43 -36.02 12.08 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.187 177.985 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -88.8 -52.3 5.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.093 0.473 . . . . 0.0 110.549 179.696 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -88.14 -32.48 18.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.25 -177.223 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . 0.523 ' HA ' ' O ' ' A' ' 442' ' ' LYS . . . . . . . . 0 C--O 1.245 0.827 0 O-C-N 124.396 1.06 . . . . 0.0 110.716 -176.075 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.474 0 N-CA-C 111.638 -0.585 . . . . 0.0 111.638 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 12.9 p -146.12 162.79 37.17 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.58 0.228 . . . . 0.0 111.063 -177.62 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -83.78 60.18 5.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.15 0.5 . . . . 0.0 110.113 179.949 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 3.3 p -88.07 73.51 9.03 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.437 0.637 . . . . 0.0 111.674 -174.856 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . 0.644 ' NE2' ' HB2' ' A' ' 444' ' ' ARG . 7.6 tp-100 -70.56 -31.96 69.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.547 177.804 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -70.0 -11.61 61.01 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.997 173.228 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.67 -61.14 6.49 Favored Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.264 176.162 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.465 ' HB ' HD23 ' A' ' 439' ' ' LEU . 0.0 OUTLIER -66.21 -30.02 48.57 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.669 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.234 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . 0.81 ' HA ' ' HE3' ' A' ' 399' ' ' LYS . 0.2 OUTLIER -55.26 -57.08 13.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.135 0.493 . . . . 0.0 110.757 176.731 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . 0.656 ' HG3' HH21 ' A' ' 403' ' ' ARG . 33.5 tt0 -72.09 -42.28 66.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.092 -179.287 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -65.53 -31.59 72.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.505 -179.172 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 402' ' ' ILE . . . . . 0.61 HG22 ' O ' ' A' ' 399' ' ' LYS . 11.1 tt -70.08 -34.33 58.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.424 -0.511 . . . . 0.0 110.081 178.399 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.656 HH21 ' HG3' ' A' ' 400' ' ' GLU . 53.3 mtm180 -59.11 -48.64 80.87 Favored 'General case' 0 CA--C 1.519 -0.212 0 C-N-CA 120.568 -0.453 . . . . 0.0 109.851 173.197 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -68.06 -46.67 70.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.153 -178.347 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 405' ' ' GLN . . . . . 0.616 ' O ' HD22 ' A' ' 408' ' ' LEU . 23.2 mt-30 -68.95 -46.22 68.74 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.849 -176.09 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -64.15 -27.53 69.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.995 0.426 . . . . 0.0 110.357 176.458 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.574 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 6.6 t80 -65.5 -57.72 7.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.323 -179.616 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . 0.616 HD22 ' O ' ' A' ' 405' ' ' GLN . 1.3 pt? -76.29 -25.75 55.2 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 119.851 -0.74 . . . . 0.0 110.253 -178.084 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 409' ' ' LEU . . . . . 0.688 HD13 HG21 ' A' ' 432' ' ' VAL . 6.5 tt -58.81 -51.02 71.77 Favored 'General case' 0 C--O 1.223 -0.309 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 174.401 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 410' ' ' ASN . . . . . 0.508 ' C ' HD21 ' A' ' 410' ' ' ASN . 0.1 OUTLIER -57.59 -40.84 79.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.639 176.874 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 39.3 m -63.75 -60.96 2.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.404 179.908 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 4.5 pp -67.34 -18.34 65.12 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 120.853 0.359 . . . . 0.0 111.316 -177.662 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -65.76 -38.64 89.62 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 172.446 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -79.81 -15.11 58.07 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.863 178.433 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -72.94 0.52 10.98 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.859 0.361 . . . . 0.0 110.393 171.208 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.609 HD22 ' HB2' ' A' ' 425' ' ' LYS . 90.2 mt -102.37 -12.11 18.15 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.978 0.418 . . . . 0.0 109.874 174.222 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -107.59 159.15 16.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.233 0.539 . . . . 0.0 112.127 -170.692 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 89.71 11.26 64.08 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.64 179.213 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 91.33 46.49 3.78 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.166 -179.132 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 49.6 mt -108.89 127.83 65.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 179.042 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -90.53 97.76 11.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.044 0.449 . . . . 0.0 109.936 176.456 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . 0.504 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 10.2 t70 -153.46 132.45 12.52 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.966 -178.41 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 86.3 mt -112.68 -18.79 12.26 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.112 0.482 . . . . 0.0 110.3 177.741 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 47.6 p -67.21 -38.76 85.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.197 -176.869 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . 0.609 ' HB2' HD22 ' A' ' 416' ' ' LEU . 1.8 mmpp? -65.24 -32.13 73.64 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 120.837 0.351 . . . . 0.0 110.221 -179.896 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 426' ' ' GLU . . . . . 0.566 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 35.7 tt0 -67.15 -46.69 73.28 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.815 -178.404 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -63.38 -30.17 71.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.282 175.363 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -75.88 -41.09 53.17 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.8 -177.401 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.5 pp -66.55 -32.8 74.37 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.136 178.287 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -78.66 -26.93 45.17 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 177.977 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.565 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 39.5 tt0 -66.54 -54.65 21.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.562 178.867 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.688 HG21 HD13 ' A' ' 409' ' ' LEU . 29.5 m -68.09 -29.82 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 CA-C-O 120.805 0.336 . . . . 0.0 110.847 179.306 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -67.59 -48.43 66.87 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.483 179.95 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 434' ' ' ARG . . . . . 0.565 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 16.5 ptm180 -64.14 -31.16 72.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.589 -178.223 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 435' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 431' ' ' GLU . 86.2 mt -69.04 -54.83 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.037 178.992 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . 0.552 ' HB3' ' NE2' ' A' ' 405' ' ' GLN . 4.4 pp -62.09 -33.07 73.76 Favored 'General case' 0 C--N 1.334 -0.096 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.837 -178.926 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 437' ' ' THR . . . . . 0.513 ' O ' ' HG2' ' A' ' 441' ' ' ARG . 54.1 m -71.04 -54.88 9.61 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.77 179.569 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -64.92 -34.38 78.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.903 -175.46 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.465 HD23 ' HB ' ' A' ' 398' ' ' ILE . 50.9 tp -65.7 -54.9 21.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.635 -178.319 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 440' ' ' LYS . . . . . . . . . . . . . 58.2 pttt -61.53 -32.06 72.11 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 121.317 0.58 . . . . 0.0 110.663 -177.184 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 441' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' A' ' 437' ' ' THR . 37.3 mmt180 -68.54 -52.53 30.97 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.751 179.693 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.13 7.85 23.23 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -176.375 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 16.1 tp -127.18 -1.53 6.4 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.269 178.246 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . 0.644 ' HB2' ' NE2' ' A' ' 395' ' ' GLN . 60.7 ttt-85 -138.24 -51.49 0.59 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.712 0.291 . . . . 0.0 111.098 178.047 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . 0.454 ' HG3' HH11 ' A' ' 441' ' ' ARG . 4.6 mm-40 -75.77 -22.65 56.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.566 -176.409 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.518 -0.753 . . . . 0.0 110.266 178.376 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.571 0 N-CA-C 111.778 -0.529 . . . . 0.0 111.778 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 44.9 m 63.76 -161.7 0.29 Allowed 'General case' 0 C--O 1.234 0.281 0 C-N-CA 122.575 0.35 . . . . 0.0 111.721 177.068 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.11 102.19 0.05 Allowed 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.086 -178.128 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 5.6 m -130.32 107.89 9.6 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.411 175.282 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . 0.526 ' O ' ' HB2' ' A' ' 399' ' ' LYS . 14.1 mm100 -66.87 -33.12 74.9 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.453 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -70.1 -10.78 59.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.529 174.49 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -69.09 -69.23 1.43 Allowed Glycine 0 N--CA 1.442 -0.905 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.597 HD13 HD13 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -64.84 -28.33 44.56 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.096 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . 0.778 ' HE2' ' HA ' ' A' ' 399' ' ' LYS . 0.0 OUTLIER -58.61 -58.26 9.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.076 0.465 . . . . 0.0 110.914 178.833 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . 0.665 ' HG3' HH21 ' A' ' 403' ' ' ARG . 34.3 tt0 -71.73 -42.62 67.08 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.679 -177.658 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 401' ' ' GLU . . . . . 0.493 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 47.8 mt-10 -61.71 -42.65 99.23 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.6 179.085 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 402' ' ' ILE . . . . . 0.597 HD13 HD13 ' A' ' 398' ' ' ILE . 9.5 tt -64.59 -28.69 45.4 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.256 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.545 -177.805 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.665 HH21 ' HG3' ' A' ' 400' ' ' GLU . 81.8 mtm180 -57.53 -48.86 78.15 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 120.139 -0.624 . . . . 0.0 109.344 172.408 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -72.29 -39.92 67.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.245 178.52 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 405' ' ' GLN . . . . . 0.56 ' HB2' ' HA ' ' A' ' 402' ' ' ILE . 95.8 mt-30 -64.41 -50.16 68.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.3 -177.628 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . 0.427 ' HG2' HG12 ' A' ' 402' ' ' ILE . 6.8 mm-40 -66.71 -27.73 67.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.004 0.431 . . . . 0.0 109.98 177.234 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.594 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.5 t80 -66.15 -51.25 59.63 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.937 177.971 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . 0.775 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.9 pp -70.42 -33.97 71.97 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.346 178.243 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 409' ' ' LEU . . . . . 0.565 ' HA ' HD12 ' A' ' 412' ' ' LEU . 28.9 tp -57.39 -41.1 79.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.396 0.617 . . . . 0.0 109.772 175.216 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -57.57 -48.8 78.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.795 178.529 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 35.0 p -67.65 -42.94 81.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.658 -177.967 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.775 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 15.2 mt -55.44 -44.61 76.5 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-O 121.721 0.772 . . . . 0.0 109.83 175.6 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . 0.504 ' HD2' HD22 ' A' ' 429' ' ' LEU . 32.5 m170 -62.5 -45.04 94.83 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.477 -1.238 . . . . 0.0 111.72 178.268 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -79.14 -1.65 37.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.742 0.306 . . . . 0.0 111.306 -178.738 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -102.16 7.74 40.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.305 0.574 . . . . 0.0 109.706 177.957 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 412' ' ' LEU . 74.9 mt -115.54 -48.46 2.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.807 175.479 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -69.23 138.43 53.99 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.908 -178.29 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 110.41 12.82 16.28 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.875 -0.679 . . . . 0.0 111.421 -175.032 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 84.69 36.57 11.6 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.464 179.606 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 15.9 mm -108.01 134.45 49.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 -178.877 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -115.29 94.65 4.82 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.092 0.472 . . . . 0.0 110.905 178.619 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -125.22 116.88 22.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.53 177.679 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.6 mp -82.93 -33.95 26.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.9 -175.079 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 424' ' ' SER . . . . . 0.476 ' O ' ' HB2' ' A' ' 428' ' ' ARG . 8.6 t -65.85 -44.96 83.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.838 -176.022 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 43.7 mttp -75.28 -29.09 60.01 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 121.151 -0.22 . . . . 0.0 110.489 179.535 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 426' ' ' GLU . . . . . 0.629 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 40.9 tt0 -63.46 -50.06 71.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.302 0.573 . . . . 0.0 110.48 178.91 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -72.3 -23.96 61.26 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.122 177.756 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 428' ' ' ARG . . . . . 0.476 ' HB2' ' O ' ' A' ' 424' ' ' SER . 47.5 ttt180 -74.02 -46.55 42.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.406 -178.273 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . 0.629 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.1 pp -60.09 -35.59 75.55 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.12 176.791 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -74.11 -32.64 63.29 Favored 'General case' 0 N--CA 1.445 -0.716 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.489 178.428 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.466 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 11.3 tp10 -62.21 -56.33 19.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.909 178.217 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.512 HG22 HD11 ' A' ' 408' ' ' LEU . 13.3 p -66.4 -33.0 60.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.918 -178.942 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . 0.465 ' HB2' ' O ' ' A' ' 429' ' ' LEU . 7.2 tt0 -63.67 -45.99 87.58 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 120.798 0.332 . . . . 0.0 110.297 -177.435 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 434' ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 32.0 ptt180 -67.91 -32.09 72.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.523 -178.515 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 435' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 431' ' ' GLU . 76.8 mt -69.1 -57.12 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 121.127 -0.229 . . . . 0.0 111.243 178.89 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . 0.445 HD13 ' N ' ' A' ' 437' ' ' THR . 4.4 pp -58.06 -34.68 70.38 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.672 0.272 . . . . 0.0 110.899 -178.719 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 437' ' ' THR . . . . . 0.536 ' O ' ' HG2' ' A' ' 441' ' ' ARG . 58.2 m -70.62 -57.35 4.82 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.623 177.981 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.11 -38.96 84.57 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.755 0.312 . . . . 0.0 111.248 -175.675 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 39.8 tp -65.5 -54.5 27.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.2 -176.961 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 440' ' ' LYS . . . . . 0.479 ' HB3' HG13 ' A' ' 398' ' ' ILE . 61.5 pttt -63.67 -29.92 71.09 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.923 0.392 . . . . 0.0 110.94 -175.448 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 441' ' ' ARG . . . . . 0.536 ' HG2' ' O ' ' A' ' 437' ' ' THR . 34.9 mmt180 -73.91 -48.97 27.06 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.852 -179.027 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -66.18 -27.23 67.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.817 178.396 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 21.6 tp -80.31 -23.36 40.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.426 -177.735 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -103.82 -39.68 6.55 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -179.38 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -84.48 26.74 0.76 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.004 0.43 . . . . 0.0 111.359 -175.52 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.872 0 CA-C-O 118.762 -0.637 . . . . 0.0 110.055 176.085 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.574 0 N-CA-C 111.732 -0.547 . . . . 0.0 111.732 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 67.1 m 69.52 142.56 0.04 OUTLIER 'General case' 0 C--O 1.233 0.194 0 C-N-CA 123.178 0.591 . . . . 0.0 110.877 -175.298 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 9.5 mp0 -60.5 152.18 26.54 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.852 -179.595 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 17.2 p -73.17 74.41 1.27 Allowed 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.986 0.735 . . . . 0.0 112.986 -173.462 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -74.85 -33.63 62.17 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 173.339 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -68.71 -21.48 64.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.805 171.978 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.58 -55.33 23.52 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.936 177.981 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.517 HD13 HD11 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -67.69 -34.47 68.06 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.863 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 177.187 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . 0.513 ' O ' HG23 ' A' ' 402' ' ' ILE . 0.3 OUTLIER -61.03 -49.71 76.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.826 0.346 . . . . 0.0 111.703 -177.676 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -68.17 -46.92 69.39 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.309 0.576 . . . . 0.0 110.172 179.786 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 401' ' ' GLU . . . . . 0.517 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 5.7 mm-40 -65.58 -37.22 86.05 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.608 -0.723 . . . . 0.0 111.593 -178.981 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 402' ' ' ILE . . . . . 0.517 HD11 HD13 ' A' ' 398' ' ' ILE . 12.0 tt -68.17 -30.22 47.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -177.739 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.655 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 97.6 mtt180 -62.61 -43.28 99.19 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 173.928 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . 0.504 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 64.3 mtt85 -67.04 -49.24 65.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.918 175.23 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 405' ' ' GLN . . . . . 0.517 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 49.0 mt-30 -58.9 -58.88 6.67 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.004 -178.978 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -60.62 -27.04 67.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.752 0.31 . . . . 0.0 110.747 -179.645 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.655 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 6.6 t80 -63.51 -60.05 3.86 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.977 178.073 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . 0.625 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.2 pp -70.58 -29.21 65.58 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 -179.336 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 409' ' ' LEU . . . . . 0.548 ' HG ' ' HB2' ' A' ' 429' ' ' LEU . 7.9 tt -60.57 -47.23 87.09 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 176.391 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 410' ' ' ASN . . . . . 0.451 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 11.0 t30 -61.92 -42.49 99.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.229 177.472 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 22.2 m -59.86 -52.87 63.6 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.855 179.653 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.678 ' HB2' ' HB3' ' A' ' 425' ' ' LYS . 3.9 pp -75.59 -18.88 59.59 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.309 -0.557 . . . . 0.0 111.208 -178.751 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . 0.402 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 18.5 t-160 -67.14 -43.04 83.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.057 0.456 . . . . 0.0 109.862 175.202 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 414' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 410' ' ' ASN . 11.3 ptm180 -80.11 -13.66 59.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 177.811 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 415' ' ' ASP . . . . . 0.435 ' HB2' ' HA ' ' A' ' 412' ' ' LEU . 15.1 t70 -65.75 -23.59 66.76 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.549 0.69 . . . . 0.0 110.016 174.688 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.655 HD23 ' HB2' ' A' ' 425' ' ' LYS . 24.9 mt -79.25 -6.46 56.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.999 -179.194 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -125.58 177.66 6.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.894 0.378 . . . . 0.0 111.506 -172.73 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 89.07 16.96 57.01 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.231 -177.208 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 96.89 28.55 8.69 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.783 -178.766 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 48.5 mm -113.2 141.91 27.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 -178.179 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 20.4 pttm -111.26 80.06 1.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.781 0.801 . . . . 0.0 110.395 175.373 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . 0.458 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 11.1 t70 -119.64 137.79 53.66 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.535 179.464 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -120.38 -7.17 9.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.142 0.496 . . . . 0.0 110.507 176.226 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 38.6 m -73.84 -40.42 63.32 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.178 -177.296 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . 0.678 ' HB3' ' HB2' ' A' ' 412' ' ' LEU . 28.1 mmtm -69.44 -30.43 68.35 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 178.957 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 426' ' ' GLU . . . . . 0.595 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 8.4 tp10 -65.33 -49.69 68.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.934 -177.686 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -69.84 -27.21 64.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.966 178.594 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 428' ' ' ARG . . . . . 0.48 ' O ' HG23 ' A' ' 432' ' ' VAL . 22.8 tpt180 -74.42 -45.44 46.51 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.219 -178.087 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . 0.621 ' HB3' ' CD1' ' A' ' 412' ' ' LEU . 4.3 pp -62.13 -35.84 79.97 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.347 -179.965 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -68.61 -33.42 74.01 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.163 179.487 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.505 ' HG3' ' HE ' ' A' ' 434' ' ' ARG . 35.9 tt0 -68.82 -43.95 74.51 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.088 175.277 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 428' ' ' ARG . 61.0 t -59.13 -47.46 90.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.289 0.566 . . . . 0.0 109.981 175.142 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -61.9 -43.9 97.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.651 -178.393 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 434' ' ' ARG . . . . . 0.505 ' HE ' ' HG3' ' A' ' 431' ' ' GLU . 36.3 ptt180 -68.06 -25.08 65.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.646 -176.887 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 435' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 431' ' ' GLU . 74.1 mt -76.06 -56.69 7.73 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-N 116.822 -0.172 . . . . 0.0 110.868 177.853 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . 0.418 HD13 ' N ' ' A' ' 437' ' ' THR . 3.8 pp -60.73 -32.49 71.76 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.505 0.193 . . . . 0.0 111.24 -178.434 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 437' ' ' THR . . . . . 0.666 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 79.0 m -69.54 -54.38 14.4 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.75 177.296 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . 0.525 ' O ' ' HD2' ' A' ' 442' ' ' LYS . . . -63.05 -38.97 93.3 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.763 -0.199 . . . . 0.0 110.766 -177.54 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.492 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 36.1 tp -59.84 -54.69 43.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.134 -177.207 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 440' ' ' LYS . . . . . 0.666 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 62.5 pttt -62.85 -33.58 75.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.811 0.338 . . . . 0.0 111.243 -177.266 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -72.9 -50.23 24.96 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.681 -179.801 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . 0.525 ' HD2' ' O ' ' A' ' 438' ' ' ALA . 0.7 OUTLIER -67.99 -20.21 65.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.775 -177.097 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 77.8 mt -87.82 -33.91 18.44 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.559 179.745 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -94.12 -43.3 8.55 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -175.895 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -87.06 24.15 1.61 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.425 -172.175 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.86 0 CA-C-O 118.686 -0.674 . . . . 0.0 110.638 179.839 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.675 0 N-CA-C 111.946 -0.462 . . . . 0.0 111.946 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 36.3 m 59.32 35.37 23.22 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.412 0.625 . . . . 0.0 110.368 -176.469 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -138.0 141.9 40.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.323 -175.712 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 11.6 m -148.16 112.29 5.2 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.529 174.711 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -64.87 -33.48 76.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.108 0.48 . . . . 0.0 110.004 176.148 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -69.07 -15.29 63.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.343 174.46 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.62 -56.37 19.73 Favored Glycine 0 N--CA 1.447 -0.595 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.409 178.162 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.504 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -69.7 -29.22 40.29 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.859 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 177.066 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . 0.438 ' O ' HG22 ' A' ' 402' ' ' ILE . 0.6 OUTLIER -57.95 -53.21 60.86 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.693 -178.905 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . 0.508 ' HA ' ' HD3' ' A' ' 403' ' ' ARG . 0.4 OUTLIER -71.71 -39.36 70.21 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 177.453 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 401' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 18.9 mm-40 -59.1 -47.93 83.47 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.61 178.713 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 402' ' ' ILE . . . . . 0.438 HG22 ' O ' ' A' ' 399' ' ' LYS . 12.5 tt -65.38 -29.56 47.55 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.469 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -177.424 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.565 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 26.8 mtp85 -58.99 -44.94 91.71 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.112 172.542 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' A' ' 400' ' ' GLU . 9.8 mmm180 -75.07 -42.62 56.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.111 0.481 . . . . 0.0 110.298 179.786 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 405' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 74.4 mt-30 -67.39 -47.73 69.48 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.499 -177.349 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -63.85 -30.9 71.94 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 176.261 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.565 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 1.4 t80 -57.99 -56.65 19.27 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.88 177.84 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . 0.499 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.5 pp -74.51 -30.76 61.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.355 -179.671 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 409' ' ' LEU . . . . . 0.494 ' N ' HD11 ' A' ' 408' ' ' LEU . 6.6 tt -60.53 -47.85 84.34 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 177.876 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -60.53 -40.95 93.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.216 177.974 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 411' ' ' SER . . . . . 0.424 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 23.0 t -63.16 -57.41 10.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.77 179.227 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.601 ' HA ' ' OD1' ' A' ' 415' ' ' ASP . 4.5 pp -67.66 -17.09 64.47 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 122.017 -0.427 . . . . 0.0 111.379 -178.834 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -71.78 -37.67 70.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.657 0.265 . . . . 0.0 110.599 174.01 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 414' ' ' ARG . . . . . 0.605 ' O ' ' HG3' ' A' ' 417' ' ' GLN . 12.3 ptm180 -85.26 -1.88 57.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.805 0.336 . . . . 0.0 111.208 179.392 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 415' ' ' ASP . . . . . 0.601 ' OD1' ' HA ' ' A' ' 412' ' ' LEU . 1.1 m-20 -61.47 -28.01 68.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.403 165.347 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 3.5 mp -90.62 43.79 1.16 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.949 -178.661 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . 0.605 ' HG3' ' O ' ' A' ' 414' ' ' ARG . 48.6 mt-30 -62.5 165.81 5.84 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.963 0.411 . . . . 0.0 111.424 175.444 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -65.95 117.65 10.13 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.064 179.392 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 109.45 -11.84 33.26 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 121.14 -0.552 . . . . 0.0 111.851 -178.125 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 31.0 mm -97.67 133.04 41.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.754 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -115.56 100.82 8.34 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.823 0.344 . . . . 0.0 110.167 178.369 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . 0.633 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 10.3 t70 -146.32 122.58 10.89 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 177.281 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 93.6 mt -94.2 -19.72 20.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.025 0.441 . . . . 0.0 111.105 -176.439 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 68.4 m -72.56 -32.25 65.91 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -176.01 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . 0.633 ' HG2' ' OD1' ' A' ' 422' ' ' ASP . 52.1 mmtt -59.68 -36.88 77.36 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.113 0.482 . . . . 0.0 110.416 178.328 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 426' ' ' GLU . . . . . 0.548 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 40.7 tt0 -77.66 -42.43 34.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.078 -175.238 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -62.61 -32.46 73.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.411 0.624 . . . . 0.0 109.701 174.672 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 428' ' ' ARG . . . . . 0.543 ' O ' HG22 ' A' ' 432' ' ' VAL . 23.9 ttm180 -75.6 -45.06 39.72 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.802 -177.561 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.6 pp -60.63 -33.43 72.76 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.52 179.258 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 430' ' ' TRP . . . . . 0.445 ' N ' HD13 ' A' ' 429' ' ' LEU . 2.2 t90 -75.27 -33.08 61.23 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.326 178.52 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -59.01 -51.76 68.7 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 174.553 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 428' ' ' ARG . 32.6 t -58.69 -48.95 84.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.556 178.212 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -62.07 -44.25 97.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.242 -175.818 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 434' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -70.36 -24.66 63.01 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.788 -175.757 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 435' ' ' ILE . . . . . . . . . . . . . 74.8 mt -78.09 -56.21 8.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.625 -0.262 . . . . 0.0 110.683 178.029 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . 0.505 HD22 HG11 ' A' ' 432' ' ' VAL . 4.5 pp -61.47 -29.99 70.32 Favored 'General case' 0 N--CA 1.461 0.112 0 CA-C-O 120.834 0.349 . . . . 0.0 110.965 -179.241 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 437' ' ' THR . . . . . 0.9 ' HA ' ' HZ2' ' A' ' 440' ' ' LYS . 96.7 m -71.28 -58.42 3.55 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.645 177.369 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -58.89 -32.03 69.14 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.931 0.396 . . . . 0.0 110.981 -176.825 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.45 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 26.1 tp -66.69 -60.72 2.44 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.605 -179.756 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 440' ' ' LYS . . . . . 0.9 ' HZ2' ' HA ' ' A' ' 437' ' ' THR . 26.3 pttm -64.82 -28.34 69.49 Favored 'General case' 0 CA--C 1.517 -0.293 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.432 -175.712 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 441' ' ' ARG . . . . . 0.471 ' HG2' ' O ' ' A' ' 437' ' ' THR . 38.4 mmt180 -62.96 -60.14 3.87 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.263 178.083 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . 1.002 ' HA ' ' HA ' ' A' ' 446' ' ' ALA . 3.2 mptp? -80.17 0.1 33.74 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -174.89 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 58.7 mt -99.71 -15.54 18.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.666 0.27 . . . . 0.0 110.715 172.801 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -111.53 -65.75 1.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 0.0 111.276 179.277 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -91.84 -25.53 18.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.503 -178.038 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . 1.002 ' HA ' ' HA ' ' A' ' 442' ' ' LYS . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-N 115.012 -0.995 . . . . 0.0 112.177 175.525 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.565 0 N-CA-C 112.042 -0.423 . . . . 0.0 112.042 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 49.1 m 69.16 23.01 6.55 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.114 0.565 . . . . 0.0 112.176 177.975 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 393' ' ' GLU . 0.4 OUTLIER -101.32 106.52 17.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.624 0.726 . . . . 0.0 110.72 175.978 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -126.25 112.72 16.07 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.753 -179.037 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . 0.671 HE21 HD11 ' A' ' 443' ' ' LEU . 18.6 mm-40 -73.51 -34.86 65.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.684 175.607 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -70.75 -18.73 62.77 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.461 176.316 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.89 -57.75 14.72 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 111.409 -0.677 . . . . 0.0 111.409 179.246 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.54 HD13 HD13 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -70.44 -34.16 56.73 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.651 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 177.019 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . 0.831 ' HE2' ' HA ' ' A' ' 399' ' ' LYS . 0.4 OUTLIER -54.57 -48.46 72.05 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.785 0.326 . . . . 0.0 111.594 -179.294 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . 0.428 ' OE1' ' HD2' ' A' ' 403' ' ' ARG . 4.7 tp10 -73.46 -47.58 40.41 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-O 121.235 0.541 . . . . 0.0 110.16 -177.74 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -60.2 -43.47 95.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.094 179.798 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 402' ' ' ILE . . . . . 0.54 HD13 HD13 ' A' ' 398' ' ' ILE . 13.2 tt -65.74 -29.39 46.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 O-C-N 123.114 0.258 . . . . 0.0 110.475 -176.964 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.584 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 62.4 mtt180 -57.74 -51.77 68.21 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 172.686 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . 0.406 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 3.3 mmp_? -68.34 -44.19 75.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.062 178.995 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 405' ' ' GLN . . . . . 0.472 ' OE1' ' HB3' ' A' ' 436' ' ' LEU . 98.7 mt-30 -61.36 -51.5 68.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.702 -177.694 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . 0.424 ' HG3' HG12 ' A' ' 402' ' ' ILE . 48.2 mt-10 -69.73 -23.03 63.34 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.693 179.617 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.584 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.8 t80 -68.56 -50.25 53.27 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 176.741 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . 0.719 HD12 HG12 ' A' ' 432' ' ' VAL . 3.5 pp -73.43 -27.68 61.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.593 177.617 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 409' ' ' LEU . . . . . 0.417 ' HA ' ' HG ' ' A' ' 412' ' ' LEU . 8.0 tt -64.98 -42.69 94.31 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 174.328 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 410' ' ' ASN . . . . . 0.515 ' O ' ' HG3' ' A' ' 414' ' ' ARG . 2.3 t-20 -60.74 -47.86 84.38 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.198 172.714 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 23.0 t -56.8 -54.64 44.1 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.689 179.322 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.843 HD12 ' HB3' ' A' ' 429' ' ' LEU . 4.5 pp -65.95 -24.37 66.79 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 120.765 0.317 . . . . 0.0 111.402 -178.468 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . 0.415 ' N ' HD11 ' A' ' 412' ' ' LEU . 1.9 m170 -68.04 -36.33 79.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.778 0.323 . . . . 0.0 110.65 173.412 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 414' ' ' ARG . . . . . 0.515 ' HG3' ' O ' ' A' ' 410' ' ' ASN . 67.8 mtt180 -68.97 -23.87 64.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.99 176.88 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -76.88 -26.06 53.78 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.476 175.969 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.481 HD23 ' HB2' ' A' ' 425' ' ' LYS . 58.3 mt -85.54 -47.83 9.51 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -175.724 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -78.08 141.11 39.01 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.447 0.642 . . . . 0.0 111.125 -174.492 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 117.15 21.11 4.59 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.333 -0.849 . . . . 0.0 112.392 -177.375 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 79.52 27.92 53.39 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.383 179.175 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 25.9 mm -97.97 126.38 50.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.942 0.401 . . . . 0.0 110.599 -177.885 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -96.6 89.23 4.9 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.926 0.393 . . . . 0.0 110.092 177.021 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . 0.656 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 9.8 t70 -127.82 132.85 49.41 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.531 178.988 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 70.1 mt -105.2 -18.23 14.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.945 0.402 . . . . 0.0 110.706 -176.955 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 44.4 t -67.41 -46.27 73.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.347 -177.326 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . 0.656 ' HD3' ' OD1' ' A' ' 422' ' ' ASP . 11.3 mptt -64.21 -27.03 68.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.675 -179.821 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 426' ' ' GLU . . . . . 0.555 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 34.4 tt0 -69.29 -51.42 37.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.018 0.437 . . . . 0.0 110.507 -177.506 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -68.17 -23.02 64.81 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.387 178.429 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -74.83 -48.27 26.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.122 178.43 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . 0.843 ' HB3' HD12 ' A' ' 412' ' ' LEU . 4.5 pp -63.48 -31.67 72.9 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.175 -179.551 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -76.47 -29.81 57.04 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.404 -179.962 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.474 ' O ' HG13 ' A' ' 435' ' ' ILE . 9.4 tp10 -66.03 -58.05 6.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.06 0.457 . . . . 0.0 109.772 178.559 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.719 HG12 HD12 ' A' ' 408' ' ' LEU . 28.3 m -63.8 -29.6 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.947 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . 0.425 ' HB2' ' O ' ' A' ' 429' ' ' LEU . 8.4 tt0 -65.24 -52.73 52.68 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.473 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 434' ' ' ARG . . . . . . . . . . . . . 40.4 ptt180 -67.71 -23.18 65.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.962 -176.074 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 435' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 431' ' ' GLU . 81.7 mt -76.01 -56.49 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.714 -0.221 . . . . 0.0 110.476 176.022 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . 0.472 ' HB3' ' OE1' ' A' ' 405' ' ' GLN . 4.5 pp -61.15 -35.21 76.47 Favored 'General case' 0 N--CA 1.457 -0.093 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.323 -179.023 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 88.3 m -66.68 -60.98 2.22 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.559 177.39 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -58.27 -42.21 86.01 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.224 -174.591 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.62 ' O ' ' HB2' ' A' ' 443' ' ' LEU . 45.4 tp -63.24 -57.96 8.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.255 -176.609 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 440' ' ' LYS . . . . . 0.484 ' HB3' HG13 ' A' ' 398' ' ' ILE . 17.1 pttp -67.03 -28.44 68.23 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.699 0.285 . . . . 0.0 111.699 -173.575 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 27.7 mmm180 -71.57 -48.62 47.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.591 -179.822 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -74.26 -13.51 60.78 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.952 0.405 . . . . 0.0 110.983 178.332 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . 0.671 HD11 HE21 ' A' ' 395' ' ' GLN . 0.2 OUTLIER -88.47 -51.48 5.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.789 -177.516 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 48.4 ttt85 -91.57 -34.58 14.68 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -173.004 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -81.33 24.58 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.873 0.368 . . . . 0.0 111.763 -173.416 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.816 0 CA-C-O 118.243 -0.884 . . . . 0.0 109.862 177.854 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.705 0 N-CA-C 111.849 -0.501 . . . . 0.0 111.849 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 22.0 p -82.0 -18.2 44.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.702 0.287 . . . . 0.0 110.544 177.987 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 62.53 18.61 10.58 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.131 178.58 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 2.2 p -86.09 93.68 9.06 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.849 -177.344 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . 0.658 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 24.5 mm-40 -64.51 -36.21 83.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.978 0.418 . . . . 0.0 109.9 174.032 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -66.45 -16.01 63.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.377 176.181 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.73 -56.8 12.94 Favored Glycine 0 N--CA 1.448 -0.567 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.744 178.1 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -25.61 36.42 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.759 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.299 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . 0.658 ' HG2' ' O ' ' A' ' 395' ' ' GLN . 31.9 mmtp -59.83 -50.21 74.68 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.598 176.7 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . 0.413 ' O ' ' HG2' ' A' ' 404' ' ' ARG . 9.3 tt0 -65.85 -49.46 68.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.065 0.46 . . . . 0.0 109.811 176.27 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -60.21 -43.18 96.2 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.715 -175.857 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 402' ' ' ILE . . . . . 0.634 HG13 HD22 ' A' ' 436' ' ' LEU . 11.6 tt -67.43 -34.15 66.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 120.996 -0.282 . . . . 0.0 110.596 -177.804 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.601 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 98.4 mtt180 -63.11 -39.96 96.22 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.2 178.001 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 400' ' ' GLU . 13.6 ptm180 -86.21 -26.12 25.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.719 -178.66 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 405' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -76.16 -47.08 25.58 Favored 'General case' 0 C--O 1.223 -0.335 0 O-C-N 122.315 -0.241 . . . . 0.0 110.473 174.568 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -64.84 -24.72 67.63 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 174.597 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.601 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.2 t80 -60.81 -58.36 8.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.551 175.56 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . 0.475 HD13 ' N ' ' A' ' 409' ' ' LEU . 2.4 pp -72.16 -28.21 63.08 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.083 -179.822 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 409' ' ' LEU . . . . . 0.593 ' O ' ' HB2' ' A' ' 413' ' ' HIS . 7.7 tt -62.63 -44.74 95.52 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 175.85 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.74 -48.52 80.91 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.686 174.103 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 22.5 m -59.57 -50.96 71.88 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.061 -178.596 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.888 HD11 ' HB3' ' A' ' 429' ' ' LEU . 4.4 pp -66.32 -32.2 73.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.983 0.42 . . . . 0.0 110.423 179.046 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . 0.593 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 3.3 t-160 -65.27 -38.13 89.34 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.443 179.172 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 32.4 mmt-85 -81.96 -11.72 58.72 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.824 179.272 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -77.09 -15.99 59.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.509 175.47 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.843 HD22 ' HB2' ' A' ' 425' ' ' LYS . 37.8 mt -89.94 -44.36 9.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.245 179.318 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -76.36 146.35 38.82 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.234 0.54 . . . . 0.0 111.174 -173.236 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 110.81 1.41 28.81 Favored Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -176.638 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 96.03 33.34 6.36 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 121.281 -0.485 . . . . 0.0 112.472 179.63 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 15.3 mm -103.06 121.41 54.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 122.684 -0.304 . . . . 0.0 110.276 -179.304 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -95.05 80.82 3.64 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.998 0.428 . . . . 0.0 111.219 179.388 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . 0.577 ' OD2' ' HG2' ' A' ' 425' ' ' LYS . 34.8 t70 -124.6 107.39 10.97 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.034 173.943 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 9.0 mp -78.95 -13.2 59.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.542 -178.676 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 2.1 m -57.84 -51.01 71.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.646 -179.631 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . 0.843 ' HB2' HD22 ' A' ' 416' ' ' LEU . 33.1 mmtm -63.96 -26.99 68.83 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-O 120.761 0.315 . . . . 0.0 111.081 -178.471 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 426' ' ' GLU . . . . . 0.616 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 38.7 tt0 -70.92 -46.12 63.05 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.076 0.465 . . . . 0.0 110.464 -175.31 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -64.15 -33.2 75.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.292 0.567 . . . . 0.0 109.793 175.448 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 428' ' ' ARG . . . . . 0.522 ' O ' HG23 ' A' ' 432' ' ' VAL . 35.4 mmt180 -74.07 -42.64 59.87 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.055 -177.27 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . 0.888 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.2 pp -61.19 -35.68 77.82 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.73 179.863 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -78.56 -27.73 45.85 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 119.935 -0.706 . . . . 0.0 110.424 178.836 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.525 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 44.1 tt0 -65.43 -58.18 6.48 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.363 -179.893 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 428' ' ' ARG . 3.2 m -63.55 -33.71 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.08 178.732 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -61.79 -50.36 72.65 Favored 'General case' 0 CA--C 1.516 -0.34 0 O-C-N 123.423 0.452 . . . . 0.0 110.039 179.804 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 434' ' ' ARG . . . . . 0.525 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 14.7 ptm180 -67.31 -32.39 73.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.561 -176.308 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 435' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 431' ' ' GLU . 79.2 mt -69.67 -57.62 7.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.262 179.97 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . 0.634 HD22 HG13 ' A' ' 402' ' ' ILE . 4.6 pp -60.47 -28.46 68.35 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.761 0.315 . . . . 0.0 110.946 179.762 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 437' ' ' THR . . . . . 0.949 ' HA ' ' HZ2' ' A' ' 440' ' ' LYS . 93.1 m -70.66 -58.22 3.88 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.75 -0.205 . . . . 0.0 110.912 176.452 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -58.4 -38.31 77.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.685 0.279 . . . . 0.0 110.814 -177.515 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 35.4 tp -63.23 -62.5 1.65 Allowed 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.118 -177.704 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 440' ' ' LYS . . . . . 0.949 ' HZ2' ' HA ' ' A' ' 437' ' ' THR . 26.1 pttm -61.85 -32.89 73.27 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.855 0.36 . . . . 0.0 111.916 -173.232 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -72.14 -53.44 12.72 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.716 -179.337 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -70.96 -28.09 64.21 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.21 -0.196 . . . . 0.0 111.523 -178.48 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 26.4 tp -72.44 -31.57 65.58 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.601 0.239 . . . . 0.0 110.777 179.909 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -93.95 -49.38 5.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.887 0.375 . . . . 0.0 111.638 179.945 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -88.77 29.5 1.01 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.356 -171.571 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.894 0 CA-C-O 118.359 -0.829 . . . . 0.0 110.599 178.152 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.721 0 N-CA-C 112.274 -0.33 . . . . 0.0 112.274 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 12.0 p -122.97 22.8 9.52 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.264 0.554 . . . . 0.0 110.342 -177.794 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -104.06 22.4 14.73 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.118 -172.887 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 394' ' ' THR . . . . . 0.453 ' O ' HD12 ' A' ' 443' ' ' LEU . 1.4 p -78.42 86.74 4.45 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.265 -175.432 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . 0.417 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 0.1 OUTLIER -63.43 -39.88 95.67 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.46 0.647 . . . . 0.0 109.615 174.852 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -67.65 -12.24 60.0 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.594 177.927 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.47 -58.94 8.99 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 111.426 -0.67 . . . . 0.0 111.426 178.107 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.508 ' CD1' ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -64.64 -35.26 74.31 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.631 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.897 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . 0.616 ' O ' ' HG3' ' A' ' 403' ' ' ARG . 34.1 mmtp -55.32 -55.03 36.15 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 120.759 0.314 . . . . 0.0 110.722 178.431 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -61.2 -54.14 47.99 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 121.301 0.572 . . . . 0.0 110.658 178.164 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 401' ' ' GLU . . . . . 0.524 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 44.3 mt-10 -58.89 -48.14 82.48 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.451 -176.586 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 402' ' ' ILE . . . . . 0.446 HD13 HD12 ' A' ' 398' ' ' ILE . 11.9 tt -64.92 -34.21 68.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 111.562 0.208 . . . . 0.0 111.562 -172.087 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.616 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 70.6 mtp180 -63.05 -40.97 99.3 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.98 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . 0.42 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 79.3 mtt180 -72.29 -40.99 67.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.538 176.582 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 405' ' ' GLN . . . . . 0.524 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 92.9 mt-30 -61.97 -55.86 25.05 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.204 179.166 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . 0.441 ' HA ' ' HB3' ' A' ' 409' ' ' LEU . 45.5 mt-10 -65.33 -23.89 67.12 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.795 -178.253 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.529 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.0 t80 -62.75 -55.07 29.97 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 174.304 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . 0.431 HD12 ' N ' ' A' ' 409' ' ' LEU . 2.9 pp -74.58 -24.99 58.99 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.129 179.13 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 409' ' ' LEU . . . . . 0.441 ' HB3' ' HA ' ' A' ' 406' ' ' GLU . 29.2 tp -61.03 -50.15 74.52 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 174.728 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -57.11 -41.11 78.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.025 174.558 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 22.2 t -63.71 -51.67 63.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.163 -178.345 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.576 ' CD1' ' HB3' ' A' ' 429' ' ' LEU . 4.4 pp -69.1 -19.8 64.06 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -178.148 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -68.4 -37.44 80.37 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.098 0.475 . . . . 0.0 110.193 171.776 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -73.27 -20.51 60.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.383 175.011 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 415' ' ' ASP . . . . . 0.595 ' OD2' ' HE3' ' A' ' 425' ' ' LYS . 16.1 t70 -90.21 12.8 16.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.565 0.698 . . . . 0.0 109.741 179.202 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.563 ' CD2' ' HB2' ' A' ' 425' ' ' LYS . 87.3 mt -100.78 5.86 43.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.028 174.361 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -143.4 166.69 24.07 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.791 -179.084 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 122.21 -16.16 8.69 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.366 -0.921 . . . . 0.0 112.452 178.054 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 118.37 -12.16 12.56 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.277 -179.941 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 2.6 pp -74.96 169.8 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 CA-C-O 120.621 0.248 . . . . 0.0 110.818 178.488 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -93.62 109.05 20.69 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.276 0.56 . . . . 0.0 110.035 176.827 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -87.59 118.98 27.44 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.414 -178.109 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 5.5 mp -136.74 -65.53 0.55 Allowed 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.687 0.756 . . . . 0.0 109.579 175.13 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 13.7 m -62.53 -36.88 83.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.739 -1.118 . . . . 0.0 111.66 -174.25 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . 0.595 ' HE3' ' OD2' ' A' ' 415' ' ' ASP . 63.9 mmtt -63.3 -34.18 77.12 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.657 0.265 . . . . 0.0 111.129 -175.013 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 426' ' ' GLU . . . . . 0.624 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 39.4 tt0 -74.45 -45.4 46.56 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -178.432 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -65.0 -30.36 71.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.25 0.547 . . . . 0.0 110.165 176.354 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 428' ' ' ARG . . . . . 0.505 ' O ' HG21 ' A' ' 432' ' ' VAL . 14.4 tpt180 -71.61 -45.05 63.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.353 -179.952 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . 0.624 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 3.8 pp -64.33 -35.14 79.9 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.986 -176.017 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -73.23 -32.9 65.03 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 121.318 0.58 . . . . 0.0 109.544 179.246 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.529 ' O ' HG13 ' A' ' 435' ' ' ILE . 42.0 tt0 -65.59 -50.1 66.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.622 174.61 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.505 HG21 ' O ' ' A' ' 428' ' ' ARG . 94.7 t -58.16 -46.07 88.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.385 176.979 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -62.06 -44.96 95.55 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.825 -177.311 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 434' ' ' ARG . . . . . 0.457 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 12.8 ptm180 -69.38 -24.61 63.89 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.734 -176.957 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 435' ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' ' 431' ' ' GLU . 84.5 mt -76.82 -57.05 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 121.083 -0.247 . . . . 0.0 110.605 176.456 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . 0.513 ' HB3' ' OE1' ' A' ' 405' ' ' GLN . 4.4 pp -58.19 -35.86 72.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.148 -177.24 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 437' ' ' THR . . . . . 0.444 ' O ' ' HG2' ' A' ' 441' ' ' ARG . 32.2 m -71.14 -53.41 14.64 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.632 179.044 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -64.21 -34.99 79.37 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.737 0.304 . . . . 0.0 111.111 -176.691 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.533 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 27.4 tp -64.91 -56.16 14.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.557 -177.044 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 440' ' ' LYS . . . . . 0.508 ' HB3' ' CD1' ' A' ' 398' ' ' ILE . 58.0 pttt -63.26 -31.77 73.01 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.51 -178.154 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 441' ' ' ARG . . . . . 0.444 ' HG2' ' O ' ' A' ' 437' ' ' THR . 23.4 mmt180 -70.52 -39.61 73.96 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.942 0.401 . . . . 0.0 110.693 179.208 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -81.64 -6.19 58.77 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.238 179.345 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 86.9 mt -110.43 -7.51 14.77 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 179.324 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . 0.423 ' HD3' ' C ' ' A' ' 444' ' ' ARG . 4.1 tmt_? -132.06 -44.93 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.121 -178.549 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -79.24 -9.82 59.66 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.941 0.4 . . . . 0.0 110.528 -178.312 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.853 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.312 179.979 . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 111.471 -0.652 . . . . 0.0 111.471 . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 392' ' ' SER . . . . . 0.525 ' O ' HD22 ' A' ' 439' ' ' LEU . 24.4 m -99.02 81.61 2.62 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 174.517 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . 0.634 ' HG3' HD11 ' A' ' 443' ' ' LEU . 2.9 mp0 -71.37 -175.15 1.19 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.872 -177.049 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 4.1 m 75.36 132.96 0.05 OUTLIER 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.8 -175.705 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . 0.715 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 27.6 mm-40 -58.96 -43.88 91.38 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 174.028 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -54.83 -29.31 54.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.829 172.619 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.15 -58.31 12.23 Favored Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.232 -179.995 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.464 HD12 HD13 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -66.25 -31.53 54.02 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.685 0 N-CA-C 110.484 -0.191 . . . . 0.0 110.484 -177.945 . . . . . . . . 3 3 . 1 . 041 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . 0.715 ' HG2' ' O ' ' A' ' 395' ' ' GLN . 30.6 mmtp -62.36 -42.51 99.46 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.904 -179.456 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -74.0 -45.43 49.98 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.285 0.564 . . . . 0.0 109.736 178.114 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 401' ' ' GLU . . . . . 0.423 ' HB3' HE21 ' A' ' 405' ' ' GLN . 5.8 mm-40 -57.51 -43.66 84.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.018 178.098 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 402' ' ' ILE . . . . . 0.585 HG13 HD23 ' A' ' 436' ' ' LEU . 12.7 tt -69.2 -35.19 66.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.078 -174.245 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.524 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 73.6 mtt180 -60.16 -44.47 94.97 Favored 'General case' 0 CA--C 1.521 -0.168 0 C-N-CA 120.069 -0.652 . . . . 0.0 110.055 175.843 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 61.5 mtm-85 -72.51 -40.76 66.59 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.067 178.633 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 405' ' ' GLN . . . . . 0.423 HE21 ' HB3' ' A' ' 401' ' ' GLU . 45.3 mt-30 -72.92 -32.22 65.16 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -176.9 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . 0.622 ' HA ' ' HB3' ' A' ' 409' ' ' LEU . 46.4 mt-10 -83.69 -15.7 47.76 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.279 -0.569 . . . . 0.0 110.267 175.566 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.524 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 6.3 t80 -68.46 -56.45 8.38 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 173.962 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . 0.662 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.2 pp -67.64 -27.92 67.28 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.347 176.192 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 409' ' ' LEU . . . . . 0.622 ' HB3' ' HA ' ' A' ' 406' ' ' GLU . 15.0 tp -55.69 -48.42 75.13 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.026 -0.533 . . . . 0.0 109.936 174.976 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -58.84 -42.77 90.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.085 179.532 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 411' ' ' SER . . . . . 0.414 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 12.1 m -57.26 -57.11 14.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.107 177.42 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 8.0 mt -55.24 -46.29 76.02 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-O 122.001 0.905 . . . . 0.0 110.258 178.126 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -57.76 -49.38 76.76 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 113.82 -1.536 . . . . 0.0 111.195 -177.531 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 414' ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' A' ' 411' ' ' SER . 14.6 ptt180 -75.85 -18.57 59.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.223 -178.014 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -72.94 -10.17 59.51 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.739 -0.209 . . . . 0.0 110.998 177.313 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.537 HD23 ' HB2' ' A' ' 425' ' ' LYS . 82.5 mt -90.31 -19.17 24.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.851 0.358 . . . . 0.0 111.172 179.487 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -106.18 156.47 18.42 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.145 0.497 . . . . 0.0 111.459 -173.546 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 103.15 16.06 22.01 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.586 -176.054 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 90.29 15.89 56.48 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.421 -179.043 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 41.9 mm -86.63 137.58 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.048 0.452 . . . . 0.0 110.873 -178.989 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 43.0 mttp -115.2 62.88 0.68 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.438 0.637 . . . . 0.0 110.427 -178.841 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . 0.485 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 10.5 t70 -102.87 139.28 38.65 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.634 -179.162 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.7 mp -105.38 -28.95 10.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.885 0.374 . . . . 0.0 110.608 -179.394 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 424' ' ' SER . . . . . 0.47 ' HA ' ' HG2' ' A' ' 427' ' ' GLU . 73.8 m -73.69 -31.67 63.54 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.908 -174.127 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . 0.537 ' HB2' HD23 ' A' ' 416' ' ' LEU . 47.2 mmtm -65.94 -32.89 74.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.032 0.444 . . . . 0.0 109.981 175.266 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 426' ' ' GLU . . . . . 0.505 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 37.1 tt0 -73.59 -46.01 49.77 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.46 -175.699 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . 0.47 ' HG2' ' HA ' ' A' ' 424' ' ' SER . 17.2 pt-20 -69.5 -23.81 63.67 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.029 178.646 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -78.54 -50.4 11.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.478 -179.457 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . 0.61 ' HB2' HD13 ' A' ' 409' ' ' LEU . 4.1 pp -57.66 -37.26 73.08 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.017 177.931 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -75.65 -30.18 59.38 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.671 -179.653 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.427 ' O ' HG13 ' A' ' 435' ' ' ILE . 45.1 tt0 -61.35 -55.94 25.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.143 178.302 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.442 HG13 HD11 ' A' ' 408' ' ' LEU . 17.9 m -66.36 -32.77 59.55 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.797 -179.323 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -65.56 -48.5 72.18 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 120.858 0.361 . . . . 0.0 110.249 -178.882 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 434' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -66.72 -28.44 68.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.658 -177.635 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 435' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 431' ' ' GLU . 81.3 mt -75.44 -53.9 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.384 177.989 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . 0.585 HD23 HG13 ' A' ' 402' ' ' ILE . 4.5 pp -61.7 -31.33 71.46 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.627 -178.432 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 437' ' ' THR . . . . . 0.664 ' O ' ' HG2' ' A' ' 441' ' ' ARG . 56.9 m -69.67 -60.06 2.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.711 177.212 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -57.58 -37.73 73.68 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-O 120.656 0.265 . . . . 0.0 111.322 -177.472 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.525 HD22 ' O ' ' A' ' 392' ' ' SER . 37.3 tp -60.89 -58.62 7.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -178.1 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 440' ' ' LYS . . . . . 0.427 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 58.6 pttt -60.7 -34.56 74.56 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.889 0.376 . . . . 0.0 111.032 -176.487 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 441' ' ' ARG . . . . . 0.664 ' HG2' ' O ' ' A' ' 437' ' ' THR . 13.7 mmm180 -68.79 -50.66 48.46 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.856 -176.965 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -70.07 -19.66 63.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.679 0.276 . . . . 0.0 111.259 179.516 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . 0.634 HD11 ' HG3' ' A' ' 393' ' ' GLU . 4.4 mm? -96.48 -5.49 39.38 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -178.746 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -121.32 -41.1 2.53 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 179.047 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -83.65 -19.72 34.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.67 0.271 . . . . 0.0 111.619 -176.542 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.878 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.384 -178.193 . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.596 0 N-CA-C 111.784 -0.526 . . . . 0.0 111.784 . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 4.0 p -108.94 99.79 9.08 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.288 0.566 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -95.54 119.55 34.24 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.633 178.985 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 15.3 p -125.54 79.88 1.85 Allowed 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -173.677 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . 0.428 ' CD ' ' HB2' ' A' ' 444' ' ' ARG . 1.9 mm-40 -79.76 -33.85 40.31 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 169.429 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -67.52 -20.24 65.41 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.481 172.028 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.38 -59.28 8.53 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.473 177.717 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.517 ' HB ' HD23 ' A' ' 439' ' ' LEU . 10.2 tp -69.74 -21.22 24.15 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.687 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 178.259 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . 0.762 ' HA ' ' HE3' ' A' ' 399' ' ' LYS . 0.1 OUTLIER -57.23 -63.53 1.19 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.02 0.438 . . . . 0.0 110.27 175.052 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -66.76 -41.3 87.97 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.602 -179.729 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 401' ' ' GLU . . . . . 0.543 ' HB3' HE21 ' A' ' 405' ' ' GLN . 27.4 mt-10 -60.66 -47.9 84.18 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.279 179.486 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 402' ' ' ILE . . . . . 0.434 ' HA ' ' HB2' ' A' ' 405' ' ' GLN . 9.1 tt -64.91 -29.21 46.73 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.37 0 C-N-CA 121.095 -0.242 . . . . 0.0 110.861 -175.003 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.503 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 97.2 mtt180 -59.17 -48.25 82.31 Favored 'General case' 0 CA--C 1.522 -0.115 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 173.037 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . 0.477 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 79.4 mtp180 -70.26 -44.27 68.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.077 178.499 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 405' ' ' GLN . . . . . 0.543 HE21 ' HB3' ' A' ' 401' ' ' GLU . 76.1 mt-30 -60.68 -52.92 63.06 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.505 -179.319 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -61.55 -32.37 72.45 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 118.056 0.389 . . . . 0.0 110.321 178.059 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.503 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.4 t80 -61.53 -56.36 20.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.813 -179.396 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . 0.637 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.0 pp -72.83 -29.11 62.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.77 178.884 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 409' ' ' LEU . . . . . 0.522 ' N ' HD11 ' A' ' 408' ' ' LEU . 34.0 tp -58.02 -51.62 68.9 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.223 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -62.82 -37.66 87.64 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.965 178.715 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 411' ' ' SER . . . . . 0.587 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 50.1 m -61.68 -52.88 62.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.311 -179.46 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.691 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 3.4 pp -79.63 -14.73 58.6 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.156 -0.618 . . . . 0.0 111.355 -178.998 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . 0.482 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 15.9 t-160 -73.48 -34.29 65.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.78 0.324 . . . . 0.0 110.366 174.519 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 414' ' ' ARG . . . . . 0.587 ' HG2' ' O ' ' A' ' 411' ' ' SER . 31.7 ptt180 -82.0 -20.42 38.49 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 176.259 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -81.1 26.7 0.43 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.488 179.269 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.579 HD23 ' HB3' ' A' ' 425' ' ' LYS . 88.1 mt -108.13 -9.03 15.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.6 175.355 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . 0.405 ' NE2' ' HA ' ' A' ' 414' ' ' ARG . 4.9 pm0 -151.42 -179.09 7.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.896 0.379 . . . . 0.0 110.891 -178.819 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 92.51 35.12 6.66 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 -176.052 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 96.25 -10.5 67.48 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -174.442 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 37.0 mm -94.49 135.08 29.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.481 -0.36 . . . . 0.0 110.37 -179.433 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -127.22 99.79 5.81 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 173.808 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -134.44 139.09 45.28 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.05 -174.161 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 91.4 mt -106.99 -41.15 5.26 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.901 0.381 . . . . 0.0 111.266 -177.482 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 424' ' ' SER . . . . . 0.441 ' HA ' ' OE2' ' A' ' 427' ' ' GLU . 74.5 m -69.32 -24.7 63.96 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.518 -177.143 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . 0.691 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 0.1 OUTLIER -59.56 -32.62 70.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.463 0.649 . . . . 0.0 109.475 174.075 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 426' ' ' GLU . . . . . 0.6 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 44.6 tt0 -81.63 -35.31 30.18 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.966 -1.016 . . . . 0.0 109.85 -177.679 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . 0.441 ' OE2' ' HA ' ' A' ' 424' ' ' SER . 32.1 mt-10 -63.0 -30.4 71.57 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.748 0.785 . . . . 0.0 109.031 173.316 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 428' ' ' ARG . . . . . 0.433 ' O ' HG21 ' A' ' 432' ' ' VAL . 80.6 mtt180 -80.81 -40.78 24.41 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.704 -177.01 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.6 pp -60.82 -31.87 71.26 Favored 'General case' 0 CA--C 1.52 -0.191 0 C-N-CA 120.405 -0.518 . . . . 0.0 109.972 174.936 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 430' ' ' TRP . . . . . 0.441 ' N ' HD12 ' A' ' 429' ' ' LEU . 3.3 t90 -73.67 -35.76 65.26 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.169 178.79 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -59.99 -49.6 77.05 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.57 175.549 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.433 HG21 ' O ' ' A' ' 428' ' ' ARG . 63.7 t -58.37 -48.68 84.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.74 176.948 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -61.99 -44.68 96.22 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.856 -174.373 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 434' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -70.65 -30.07 66.6 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.033 -175.476 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 435' ' ' ILE . . . . . . . . . . . . . 77.2 mt -70.47 -53.27 23.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.02 177.961 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . 0.458 HD13 ' N ' ' A' ' 437' ' ' THR . 4.4 pp -62.4 -33.02 73.96 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.709 0.29 . . . . 0.0 110.766 179.888 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 437' ' ' THR . . . . . 0.458 ' N ' HD13 ' A' ' 436' ' ' LEU . 100.0 m -65.87 -59.23 4.07 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.665 176.293 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -56.59 -37.96 71.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.746 0.307 . . . . 0.0 111.784 -176.463 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.517 HD23 ' HB ' ' A' ' 398' ' ' ILE . 24.8 tp -73.19 -56.31 5.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.463 -175.547 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 440' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 436' ' ' LEU . 61.1 pttt -67.23 -31.45 71.82 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.26 -173.925 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 441' ' ' ARG . . . . . 0.859 ' HD3' ' HG3' ' A' ' 445' ' ' GLU . 42.1 mmt180 -72.06 -43.88 64.2 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.056 -178.752 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -84.14 -11.76 56.07 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -177.267 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -104.08 -10.86 17.7 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.878 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . 0.56 ' HD2' ' OE2' ' A' ' 445' ' ' GLU . 13.5 ttm180 -138.53 -45.99 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.625 179.014 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . 0.859 ' HG3' ' HD3' ' A' ' 441' ' ' ARG . 6.7 mm-40 -79.68 9.02 5.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.647 -174.565 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.387 -0.816 . . . . 0.0 110.4 -178.192 . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.712 0 N-CA-C 111.954 -0.458 . . . . 0.0 111.954 . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 38.4 m -124.5 172.43 9.2 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 -179.952 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -76.81 159.46 30.07 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.969 0.414 . . . . 0.0 110.286 177.641 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 6.0 p -82.76 80.98 8.69 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.343 0.592 . . . . 0.0 112.138 -177.061 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . 0.438 ' O ' ' HD3' ' A' ' 399' ' ' LYS . 24.6 mm-40 -69.73 -38.69 76.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.044 175.123 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -64.66 -21.62 66.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.131 174.446 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.01 -59.72 8.18 Favored Glycine 0 N--CA 1.445 -0.714 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.826 178.803 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.495 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -66.93 -28.64 43.64 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.873 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 -179.46 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . 0.677 ' O ' HG23 ' A' ' 402' ' ' ILE . 1.1 mptm? -64.3 -45.25 88.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.795 0.331 . . . . 0.0 111.267 178.659 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -70.88 -42.99 69.3 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.019 177.698 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -73.37 -23.38 60.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.779 -177.619 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 402' ' ' ILE . . . . . 0.677 HG23 ' O ' ' A' ' 399' ' ' LYS . 9.7 tp -71.41 -37.32 64.45 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.262 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 176.995 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.648 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 70.2 mtp180 -60.88 -46.62 89.9 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 174.46 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 55.3 mtt-85 -62.7 -52.24 64.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.156 179.148 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 405' ' ' GLN . . . . . 0.624 ' O ' ' HB2' ' A' ' 409' ' ' LEU . 41.8 mt-30 -68.81 -43.59 75.27 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.287 -174.204 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -73.99 -16.09 61.08 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.166 -0.614 . . . . 0.0 110.33 179.672 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.648 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 14.5 t80 -68.67 -60.84 2.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.229 177.135 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . 0.61 HD21 ' O ' ' A' ' 405' ' ' GLN . 2.1 pt? -73.23 -26.07 60.98 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.249 -179.2 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 409' ' ' LEU . . . . . 0.624 ' HB2' ' O ' ' A' ' 405' ' ' GLN . 5.5 tt -58.04 -45.63 86.68 Favored 'General case' 0 C--O 1.219 -0.512 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 174.848 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -59.04 -43.84 91.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.756 176.081 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 411' ' ' SER . . . . . 0.458 ' O ' ' HG3' ' A' ' 414' ' ' ARG . 22.9 t -62.6 -57.77 9.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.738 179.193 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.561 HD23 ' HB3' ' A' ' 428' ' ' ARG . 4.3 pp -64.91 -20.68 66.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.956 0.408 . . . . 0.0 111.387 -179.717 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 15.9 t-160 -73.53 -40.88 63.67 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 175.412 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 414' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' A' ' 411' ' ' SER . 4.2 ppt_? -79.51 -3.71 48.0 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.173 0.511 . . . . 0.0 110.458 177.429 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -89.68 9.98 25.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.049 171.378 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 97.2 mt -113.6 25.02 11.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.057 175.898 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -68.68 158.66 33.7 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.516 -179.287 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -58.39 117.91 11.98 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.764 177.957 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 113.71 -11.94 23.06 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.362 -0.695 . . . . 0.0 111.362 -176.86 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 29.0 mm -103.4 109.71 27.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 177.789 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -93.43 83.52 4.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.23 0.538 . . . . 0.0 110.271 179.417 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . 0.565 ' CG ' ' HD3' ' A' ' 425' ' ' LYS . 10.3 t70 -131.86 135.03 46.38 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.157 178.607 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 88.3 mt -105.24 -28.11 11.14 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.047 0.451 . . . . 0.0 111.062 -176.779 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 424' ' ' SER . . . . . 0.411 ' O ' ' HG3' ' A' ' 428' ' ' ARG . 71.5 m -79.42 -23.54 43.13 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.206 -0.452 . . . . 0.0 112.208 -173.131 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . 0.565 ' HD3' ' CG ' ' A' ' 422' ' ' ASP . 10.2 mptt -60.96 -33.07 72.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.491 0.662 . . . . 0.0 109.85 171.702 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 426' ' ' GLU . . . . . 0.59 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 45.2 tt0 -75.28 -39.79 59.34 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.565 179.808 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.22 -33.7 75.07 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 174.497 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 428' ' ' ARG . . . . . 0.561 ' HB3' HD23 ' A' ' 412' ' ' LEU . 27.3 mtp180 -71.37 -45.87 61.8 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.183 -176.447 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.5 pp -62.23 -31.68 72.26 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.133 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 430' ' ' TRP . . . . . 0.409 ' N ' HD11 ' A' ' 429' ' ' LEU . 3.0 t90 -75.44 -31.25 60.26 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.731 179.219 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.426 ' O ' HG13 ' A' ' 435' ' ' ILE . 9.6 tp10 -64.26 -57.4 9.56 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.813 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.544 ' O ' ' HG ' ' A' ' 436' ' ' LEU . 3.9 m -67.17 -30.3 48.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.366 178.921 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . 0.528 ' HB2' ' O ' ' A' ' 429' ' ' LEU . 8.5 tt0 -59.25 -48.98 79.6 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-O 121.017 0.437 . . . . 0.0 109.927 -179.419 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 434' ' ' ARG . . . . . 0.41 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 35.4 ptt180 -71.79 -29.12 64.12 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.522 -176.131 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 435' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 431' ' ' GLU . 74.2 mt -74.03 -59.67 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 121.206 -0.198 . . . . 0.0 111.399 179.639 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . 0.547 HD13 ' N ' ' A' ' 437' ' ' THR . 4.6 pp -57.84 -35.9 71.55 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.485 0.183 . . . . 0.0 111.486 -179.42 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 437' ' ' THR . . . . . 0.547 ' N ' HD13 ' A' ' 436' ' ' LEU . 93.8 m -70.56 -50.77 33.94 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.027 179.775 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -65.31 -36.42 83.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.879 0.371 . . . . 0.0 110.776 -176.623 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.546 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 27.1 tp -61.99 -57.57 11.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.499 -177.929 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 440' ' ' LYS . . . . . 0.495 ' HB3' HG13 ' A' ' 398' ' ' ILE . 51.9 pttt -62.58 -30.45 71.34 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.759 0.314 . . . . 0.0 111.229 -178.2 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 441' ' ' ARG . . . . . 0.578 HH11 ' HG3' ' A' ' 445' ' ' GLU . 29.1 mmt180 -70.86 -49.56 44.78 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.52 -178.67 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . 0.405 ' O ' ' HB3' ' A' ' 446' ' ' ALA . 12.6 mptt -70.66 -25.81 63.17 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.563 -179.667 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 64.0 mt -88.42 -24.81 22.94 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -177.638 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . 0.506 ' HA ' ' NE ' ' A' ' 444' ' ' ARG . 2.9 tpm_? -106.87 -49.19 3.34 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -177.509 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . 0.578 ' HG3' HH11 ' A' ' 441' ' ' ARG . 5.8 mm-40 -88.24 24.68 1.81 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.067 -173.022 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 442' ' ' LYS . . . . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.285 178.81 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.794 0 N-CA-C 111.547 -0.621 . . . . 0.0 111.547 . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 2.5 p -93.5 -71.87 0.63 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 117.324 0.562 . . . . 0.0 111.495 179.874 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . 0.748 ' HG3' ' H ' ' A' ' 394' ' ' THR . 2.3 pt-20 -134.15 -92.49 0.33 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -175.997 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 394' ' ' THR . . . . . 0.748 ' H ' ' HG3' ' A' ' 393' ' ' GLU . 3.3 p -86.05 77.13 9.69 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -170.287 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -70.83 -34.92 72.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.608 0.718 . . . . 0.0 109.149 175.352 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . 0.557 ' HA ' ' HB2' ' A' ' 399' ' ' LYS . . . -63.31 -13.18 35.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.897 173.977 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -59.43 -54.7 35.59 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.351 -0.7 . . . . 0.0 111.351 177.093 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.587 HD12 HD11 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -70.79 -34.55 56.77 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.713 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.112 177.425 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . 0.557 ' HB2' ' HA ' ' A' ' 396' ' ' ALA . 1.7 mptm? -57.76 -48.05 80.73 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.857 -179.918 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . 0.496 ' HA ' ' HD3' ' A' ' 403' ' ' ARG . 0.5 OUTLIER -70.0 -47.99 59.96 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.169 0.509 . . . . 0.0 109.904 -179.053 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -64.72 -36.65 84.98 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.818 -179.721 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 402' ' ' ILE . . . . . 0.718 HG13 HD12 ' A' ' 436' ' ' LEU . 13.9 tt -67.03 -29.73 47.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 117.849 0.295 . . . . 0.0 110.512 -178.42 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.554 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 26.8 mtp85 -60.15 -47.48 85.74 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 171.784 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 65.3 mtt180 -63.4 -49.93 71.87 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.772 176.487 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 405' ' ' GLN . . . . . 0.504 ' HG3' HD23 ' A' ' 436' ' ' LEU . 12.2 mm100 -65.59 -52.22 53.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.891 -1.05 . . . . 0.0 111.798 -173.924 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -60.83 -29.37 69.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.752 0.31 . . . . 0.0 110.361 178.275 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.554 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.2 t80 -62.36 -55.47 27.67 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.037 0.446 . . . . 0.0 110.046 178.167 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . 0.496 HD12 ' N ' ' A' ' 409' ' ' LEU . 2.7 pp -73.55 -29.49 62.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.247 179.994 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 409' ' ' LEU . . . . . 0.496 ' N ' HD12 ' A' ' 408' ' ' LEU . 7.0 tt -62.49 -47.43 84.01 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 176.078 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -59.43 -38.06 79.71 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.591 175.326 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 411' ' ' SER . . . . . 0.767 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 38.7 m -65.26 -55.47 18.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.962 179.952 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.569 ' HA ' ' OD2' ' A' ' 415' ' ' ASP . 4.3 pp -69.98 -17.76 63.3 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 121.834 -0.541 . . . . 0.0 111.217 179.041 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . 0.454 ' HD2' HD12 ' A' ' 416' ' ' LEU . 16.3 t-160 -74.49 -41.51 60.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.377 175.343 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 414' ' ' ARG . . . . . 0.767 ' HG2' ' O ' ' A' ' 411' ' ' SER . 27.2 ptt180 -69.27 -21.23 63.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.078 -179.129 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 415' ' ' ASP . . . . . 0.569 ' OD2' ' HA ' ' A' ' 412' ' ' LEU . 57.3 m-20 -58.79 -29.18 66.64 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.786 174.177 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.454 HD12 ' HD2' ' A' ' 413' ' ' HIS . 86.5 mt -72.66 -38.36 67.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.735 -176.44 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . 0.476 ' HB2' HG12 ' A' ' 420' ' ' ILE . 81.5 mm-40 53.41 18.37 1.33 Allowed 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 177.996 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 77.3 -4.25 55.81 Favored Glycine 0 CA--C 1.524 0.645 0 C-N-CA 121.13 -0.557 . . . . 0.0 113.387 -179.489 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -170.9 53.68 0.19 Allowed Glycine 0 N--CA 1.454 -0.152 0 C-N-CA 120.339 -0.934 . . . . 0.0 113.175 -176.609 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 420' ' ' ILE . . . . . 0.476 HG12 ' HB2' ' A' ' 417' ' ' GLN . 25.3 mm -122.25 143.69 34.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 177.455 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 49.7 mttp -79.76 58.92 2.94 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.148 0.499 . . . . 0.0 111.603 -176.388 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . 0.445 ' HB3' ' HD3' ' A' ' 425' ' ' LYS . 1.1 m-20 -124.65 87.53 2.73 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.553 178.298 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 82.7 mt -74.05 -29.82 62.1 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.448 -178.171 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 424' ' ' SER . . . . . 0.552 ' O ' ' HB2' ' A' ' 428' ' ' ARG . 22.9 p -63.37 -38.11 89.89 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.801 -179.214 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . 0.445 ' HD3' ' HB3' ' A' ' 422' ' ' ASP . 5.1 mptp? -62.84 -42.41 99.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.187 0.518 . . . . 0.0 111.016 178.949 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 426' ' ' GLU . . . . . 0.546 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 9.8 tp10 -65.78 -51.28 60.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.272 -176.154 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.28 -23.16 66.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.638 178.506 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 428' ' ' ARG . . . . . 0.552 ' HB2' ' O ' ' A' ' 424' ' ' SER . 3.4 tpp180 -75.71 -49.84 17.09 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.493 -177.436 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.2 pp -60.46 -34.96 74.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.91 0.386 . . . . 0.0 110.458 -179.533 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -72.07 -31.27 65.95 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.284 179.912 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.585 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 18.8 tp10 -71.43 -43.76 66.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.751 176.502 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 428' ' ' ARG . 58.4 t -58.96 -44.86 92.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.163 0.506 . . . . 0.0 110.147 175.709 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -64.81 -42.78 94.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.156 -177.194 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 434' ' ' ARG . . . . . 0.585 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 3.6 ptm180 -67.49 -34.93 78.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.715 -177.326 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 435' ' ' ILE . . . . . . . . . . . . . 77.0 mt -65.76 -48.85 80.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-O 120.795 0.331 . . . . 0.0 110.129 176.129 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . 0.718 HD12 HG13 ' A' ' 402' ' ' ILE . 96.4 mt -57.18 -48.38 78.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.69 177.405 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 32.6 m -58.5 -49.08 78.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.291 -179.974 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.72 -46.4 89.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.963 0.411 . . . . 0.0 110.833 -179.779 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.4 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 44.6 tp -64.29 -53.5 47.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.578 -177.172 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 440' ' ' LYS . . . . . 0.505 ' HB3' HG13 ' A' ' 398' ' ' ILE . 19.7 ptmt -60.46 -40.3 90.7 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -173.734 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 -77.65 -29.12 51.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.866 -175.416 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . 0.525 ' O ' ' HB3' ' A' ' 446' ' ' ALA . 11.4 mptt -75.55 -28.38 59.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.851 0.358 . . . . 0.0 110.65 175.718 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . 0.494 HD13 ' O ' ' A' ' 394' ' ' THR . 89.8 mt -78.92 -24.29 44.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.989 0.423 . . . . 0.0 110.963 178.528 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 31.3 ttt180 -96.69 -55.42 2.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.847 -178.463 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -85.0 -3.68 58.87 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -172.077 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 442' ' ' LYS . . . . . . . . 0 C--O 1.245 0.867 0 CA-C-O 118.416 -0.802 . . . . 0.0 110.399 179.451 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 391' ' ' GLY . . . . . 0.422 ' H3 ' ' CD ' ' A' ' 393' ' ' GLU . . . . . . . . 0 N--CA 1.483 1.82 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 . . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 8.5 t -120.74 70.32 0.9 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 175.018 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . 0.422 ' CD ' ' H3 ' ' A' ' 391' ' ' GLY . 16.5 mp0 -69.97 132.96 46.74 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.08 -177.49 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 3.2 m -105.98 118.1 35.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.539 178.389 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . 0.421 ' O ' ' HB2' ' A' ' 399' ' ' LYS . 9.3 mm-40 -63.02 -36.42 83.5 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.741 0.305 . . . . 0.0 110.391 174.512 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -63.14 -17.8 62.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.973 175.533 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.72 -60.2 8.1 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 111.509 -0.636 . . . . 0.0 111.509 178.355 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.642 HD12 HD13 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -72.27 -30.04 34.05 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.689 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 176.417 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . 0.861 ' HE2' ' HA ' ' A' ' 399' ' ' LYS . 0.0 OUTLIER -56.66 -52.82 63.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.72 0.295 . . . . 0.0 110.9 -177.69 . . . . . . . . 3 3 . 1 . 045 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -72.49 -41.99 65.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.742 0.306 . . . . 0.0 110.529 -179.57 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 401' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 29.1 mm-40 -56.62 -49.57 74.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.213 177.379 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 402' ' ' ILE . . . . . 0.642 HD13 HD12 ' A' ' 398' ' ' ILE . 14.2 tt -66.37 -26.49 37.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.028 -175.429 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.646 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 97.5 mtt180 -58.36 -51.42 69.89 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 171.822 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -66.96 -49.52 65.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.4 179.295 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 405' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 76.2 mt-30 -60.44 -50.43 73.62 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.992 -175.908 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . 0.618 ' HA ' ' HB3' ' A' ' 409' ' ' LEU . 36.0 mt-10 -69.73 -25.44 63.84 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.409 -0.516 . . . . 0.0 111.052 179.944 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.565 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.7 t80 -64.84 -51.79 60.18 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 176.858 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . 0.706 HD13 HG22 ' A' ' 432' ' ' VAL . 3.6 pp -72.73 -31.59 65.07 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.554 177.119 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 409' ' ' LEU . . . . . 0.618 ' HB3' ' HA ' ' A' ' 406' ' ' GLU . 56.5 tp -57.56 -50.66 72.37 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.86 175.634 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 410' ' ' ASN . . . . . 0.441 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 11.4 t30 -62.83 -33.74 75.86 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.783 178.612 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 40.2 m -64.83 -49.11 71.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 177.627 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.692 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 9.6 mt -59.12 -48.62 80.95 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-O 122.052 0.93 . . . . 0.0 109.586 175.495 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 1.6 t-160 -57.92 -43.38 86.23 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 113.619 -1.628 . . . . 0.0 111.722 -175.391 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 414' ' ' ARG . . . . . 0.441 ' HG2' ' O ' ' A' ' 410' ' ' ASN . 17.0 ptm180 -83.53 -13.43 54.54 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 121.149 -0.221 . . . . 0.0 111.276 -178.652 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -72.71 -17.27 61.64 Favored 'General case' 0 C--O 1.219 -0.511 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 -178.906 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.479 HD22 ' HB2' ' A' ' 425' ' ' LYS . 26.2 mt -85.22 -15.86 42.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.426 178.308 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -78.63 138.37 38.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.203 -175.703 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 106.56 8.95 31.93 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.629 -0.796 . . . . 0.0 111.265 -177.259 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 82.73 32.65 26.59 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.958 -177.111 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 32.2 mm -91.35 109.81 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -179.336 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . 0.459 ' HB2' ' NZ ' ' A' ' 421' ' ' LYS . 9.2 mtmp? -88.16 72.93 9.05 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.128 178.131 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . 0.524 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 10.1 t70 -106.99 112.73 25.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.872 179.646 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 74.5 mt -86.36 -17.94 33.16 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -174.75 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 424' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 428' ' ' ARG . 72.7 m -66.77 -48.69 68.25 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.426 178.489 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . 0.524 ' HG2' ' OD1' ' A' ' 422' ' ' ASP . 22.8 mmtm -66.03 -35.9 81.81 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 120.989 0.423 . . . . 0.0 109.866 179.113 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 426' ' ' GLU . . . . . 0.599 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 9.4 tp10 -59.82 -57.58 12.26 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.756 -174.452 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -74.95 -20.51 59.65 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.547 -176.717 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 428' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 424' ' ' SER . 19.8 tpt180 -77.92 -46.72 20.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.535 179.381 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.0 pp -57.9 -37.85 74.75 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 177.503 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -72.19 -31.3 65.77 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 121.105 0.479 . . . . 0.0 110.514 179.681 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.644 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 32.5 tt0 -72.28 -47.72 47.9 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.625 179.531 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.706 HG22 HD13 ' A' ' 408' ' ' LEU . 12.1 p -69.44 -28.91 39.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.94 0.4 . . . . 0.0 110.228 179.309 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -64.78 -44.31 90.42 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.222 177.868 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 434' ' ' ARG . . . . . 0.644 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 24.9 ptt180 -69.29 -25.85 64.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.335 -178.416 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 435' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 431' ' ' GLU . 81.1 mt -70.01 -59.84 3.08 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.111 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.839 176.853 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . 0.442 ' O ' ' HG2' ' A' ' 440' ' ' LYS . 4.4 pp -56.9 -31.91 65.37 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.46 0.172 . . . . 0.0 111.097 -179.454 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 437' ' ' THR . . . . . 0.689 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 64.1 m -68.0 -57.15 6.63 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 121.186 -0.205 . . . . 0.0 110.983 177.355 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.61 -38.75 88.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.908 0.385 . . . . 0.0 110.34 -178.746 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.453 ' HG ' ' HB ' ' A' ' 398' ' ' ILE . 30.9 tp -60.03 -54.06 50.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.117 -178.275 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 440' ' ' LYS . . . . . 0.689 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 52.0 pttt -64.55 -30.89 71.92 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.494 -176.895 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 441' ' ' ARG . . . . . 0.505 ' HG2' ' O ' ' A' ' 437' ' ' THR . 24.4 mmt180 -68.22 -52.72 30.97 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.296 -178.566 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . 0.631 ' HA ' ' HB1' ' A' ' 446' ' ' ALA . 15.1 ptmt -76.97 -16.35 59.36 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -178.329 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -94.07 -8.86 38.48 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.273 179.067 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . 0.409 ' HB2' ' NE2' ' A' ' 395' ' ' GLN . 38.3 ttt-85 -118.9 -64.96 1.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.349 0.595 . . . . 0.0 111.296 178.326 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -112.64 55.87 0.68 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.713 -169.765 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . 0.631 ' HB1' ' HA ' ' A' ' 442' ' ' LYS . . . . . . . . 0 C--O 1.248 1.016 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.044 176.216 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.922 0 N-CA-C 112.175 -0.37 . . . . 0.0 112.175 . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 18.3 t -168.73 69.94 0.08 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 -179.342 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -82.18 107.44 14.87 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.589 -169.973 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 1.7 m -103.08 102.58 12.6 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.696 -177.844 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . 0.599 ' NE2' ' HB2' ' A' ' 444' ' ' ARG . 19.4 tt0 -76.23 -19.74 58.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.408 0.623 . . . . 0.0 109.366 175.024 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -67.25 -20.32 65.65 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 168.767 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.28 -57.54 14.9 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.508 176.572 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.439 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -65.5 -30.85 51.44 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.659 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.021 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . 0.488 ' O ' HG22 ' A' ' 402' ' ' ILE . 1.0 OUTLIER -57.56 -52.49 65.19 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -177.043 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -71.32 -40.98 70.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.969 0.414 . . . . 0.0 110.808 178.938 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -61.39 -41.71 97.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.958 178.87 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 402' ' ' ILE . . . . . 0.53 ' HA ' ' HB2' ' A' ' 405' ' ' GLN . 14.1 tt -70.03 -29.05 38.56 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.472 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.708 -176.708 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.556 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 93.7 mtt180 -60.95 -44.6 97.05 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 173.454 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -71.1 -43.2 68.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.544 177.59 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 405' ' ' GLN . . . . . 0.53 ' HB2' ' HA ' ' A' ' 402' ' ' ILE . 16.7 mt-30 -65.56 -50.91 63.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.843 -177.853 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -62.9 -31.45 72.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.8 0.333 . . . . 0.0 110.256 177.924 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.556 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.0 t80 -59.67 -55.37 35.18 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.898 177.242 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . 0.651 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.4 pp -73.08 -32.29 64.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.295 -179.419 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 409' ' ' LEU . . . . . 0.513 ' N ' HD11 ' A' ' 408' ' ' LEU . 7.2 tt -60.71 -50.97 71.36 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 177.873 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 410' ' ' ASN . . . . . 0.561 ' O ' ' HG3' ' A' ' 414' ' ' ARG . 6.2 t30 -57.37 -44.19 84.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.123 177.497 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 45.7 m -63.0 -55.75 23.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.639 -178.666 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.651 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 4.2 pp -71.35 -14.2 62.11 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 120.93 0.395 . . . . 0.0 110.996 -178.551 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 -71.77 -32.06 67.28 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 170.78 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 414' ' ' ARG . . . . . 0.561 ' HG3' ' O ' ' A' ' 410' ' ' ASN . 71.9 mtp180 -82.85 -14.96 53.34 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.292 178.079 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 415' ' ' ASP . . . . . 0.467 ' HB2' ' O ' ' A' ' 412' ' ' LEU . 0.7 OUTLIER -61.26 -18.45 58.45 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.712 171.79 . . . . . . . . 3 3 . 1 . 046 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.528 HD23 ' HB2' ' A' ' 425' ' ' LYS . 36.7 mt -89.35 3.18 53.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.813 -178.345 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -123.64 150.18 44.5 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.144 -172.83 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 103.45 14.92 24.5 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.544 179.58 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 88.23 40.44 6.52 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.69 -0.766 . . . . 0.0 111.428 -179.055 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 51.2 mm -109.79 137.32 42.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.9 0.381 . . . . 0.0 110.699 -175.723 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -106.07 89.79 3.17 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.178 0.513 . . . . 0.0 109.957 175.513 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . 0.503 ' CG ' ' HG2' ' A' ' 425' ' ' LYS . 14.3 t0 -139.19 122.4 16.96 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.212 179.663 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.4 mp -102.38 -18.91 15.18 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.125 0.488 . . . . 0.0 110.224 -179.572 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 424' ' ' SER . . . . . 0.462 ' HA ' ' OE2' ' A' ' 427' ' ' GLU . 68.3 m -76.81 -30.37 56.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.851 -174.867 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . 0.528 ' HB2' HD23 ' A' ' 416' ' ' LEU . 28.5 mmtp -64.09 -30.98 72.02 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 120.957 0.408 . . . . 0.0 109.905 175.281 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 426' ' ' GLU . . . . . 0.565 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 40.9 tt0 -73.4 -42.29 62.28 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -179.365 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . 0.462 ' OE2' ' HA ' ' A' ' 424' ' ' SER . 28.2 mt-10 -62.15 -33.44 74.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.652 173.644 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 428' ' ' ARG . . . . . 0.545 ' O ' HG13 ' A' ' 432' ' ' VAL . 42.4 ttt180 -75.47 -43.57 48.7 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.744 -175.083 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.6 pp -63.07 -29.53 70.88 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-O 120.776 0.322 . . . . 0.0 110.138 178.801 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -77.21 -30.49 54.68 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 120.251 -0.579 . . . . 0.0 110.239 177.569 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.531 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 24.8 tt0 -69.44 -51.66 34.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.376 179.793 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.545 HG13 ' O ' ' A' ' 428' ' ' ARG . 1.5 p -61.07 -36.73 74.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.231 176.593 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -64.54 -49.03 72.85 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.843 0.354 . . . . 0.0 110.716 179.166 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 434' ' ' ARG . . . . . 0.531 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 29.5 ptt180 -65.23 -23.5 67.09 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.711 -177.021 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 435' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 431' ' ' GLU . 88.4 mt -79.85 -55.24 9.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.882 177.173 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . 0.499 ' O ' ' HG2' ' A' ' 440' ' ' LYS . 4.5 pp -61.06 -31.61 71.27 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 121.157 -0.217 . . . . 0.0 110.774 -178.254 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 437' ' ' THR . . . . . 0.437 ' N ' HD12 ' A' ' 436' ' ' LEU . 70.1 m -69.61 -58.72 3.59 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.512 177.399 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.58 -33.82 73.27 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 120.757 0.313 . . . . 0.0 111.119 -177.283 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.469 ' O ' HD22 ' A' ' 443' ' ' LEU . 24.8 tp -63.79 -60.74 2.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.792 -177.786 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 440' ' ' LYS . . . . . 0.499 ' HG2' ' O ' ' A' ' 436' ' ' LEU . 58.1 pttt -63.97 -33.64 76.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.917 0.389 . . . . 0.0 111.241 -176.648 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -68.46 -55.68 10.99 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.337 -179.369 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -67.63 -28.06 67.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.719 0.295 . . . . 0.0 111.373 -178.987 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . 0.469 HD22 ' O ' ' A' ' 439' ' ' LEU . 4.3 mm? -80.15 -16.48 54.8 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.464 -179.577 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . 0.599 ' HB2' ' NE2' ' A' ' 395' ' ' GLN . 49.6 ttp180 -104.97 -68.3 0.87 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.137 0.494 . . . . 0.0 111.516 177.725 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -93.28 49.02 1.36 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.583 0.706 . . . . 0.0 111.227 -169.029 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.698 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.031 173.737 . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.444 0 N-CA-C 111.695 -0.562 . . . . 0.0 111.695 . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 25.0 t -83.81 92.6 7.79 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 174.926 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . 0.543 ' HB2' HD22 ' A' ' 443' ' ' LEU . 14.7 mm-40 -84.15 165.82 18.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.797 -174.385 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 18.6 p -75.85 74.23 2.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.337 0.589 . . . . 0.0 112.078 -178.617 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . 0.619 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 0.5 OUTLIER -70.27 -37.19 74.83 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 174.412 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -63.45 -14.1 47.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.48 174.538 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.68 -59.98 8.88 Favored Glycine 0 N--CA 1.441 -1.009 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 177.966 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.58 ' HB ' HD22 ' A' ' 439' ' ' LEU . 0.0 OUTLIER -64.92 -32.56 58.74 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.677 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.302 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . 0.619 ' HG2' ' O ' ' A' ' 395' ' ' GLN . 32.7 mmtp -58.44 -52.65 64.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.925 0.393 . . . . 0.0 110.914 179.245 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . 0.657 ' HG3' HH21 ' A' ' 403' ' ' ARG . 44.0 tt0 -70.85 -44.88 65.53 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.764 0.316 . . . . 0.0 110.412 -179.207 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -62.98 -40.97 99.34 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 -178.781 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 402' ' ' ILE . . . . . 0.714 HG13 HD22 ' A' ' 436' ' ' LEU . 12.0 tt -66.88 -33.41 63.22 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.287 0 C-N-CA 121.244 -0.182 . . . . 0.0 110.655 -178.035 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.657 HH21 ' HG3' ' A' ' 400' ' ' GLU . 77.5 mtm180 -58.06 -48.54 79.8 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 175.341 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . 0.435 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 83.7 mtp180 -75.93 -37.86 58.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.627 -177.975 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 405' ' ' GLN . . . . . 0.413 ' NE2' ' HB3' ' A' ' 436' ' ' LEU . 26.1 mt-30 -71.13 -43.25 67.99 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.544 -178.678 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -68.22 -27.71 66.61 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 174.933 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.583 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.5 t80 -62.31 -54.06 46.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.9 176.949 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . 0.637 HD13 HG11 ' A' ' 432' ' ' VAL . 3.3 pp -74.48 -24.22 58.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 178.821 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 409' ' ' LEU . . . . . 0.44 ' N ' HD12 ' A' ' 408' ' ' LEU . 8.5 tt -65.49 -43.76 89.2 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 174.391 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -58.81 -43.72 90.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.237 172.54 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 411' ' ' SER . . . . . 0.436 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 34.1 t -59.74 -53.54 56.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.082 179.375 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.803 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 4.4 pp -67.73 -24.43 65.37 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 120.439 -0.504 . . . . 0.0 111.3 -179.157 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . 0.41 ' N ' HD13 ' A' ' 412' ' ' LEU . 1.8 m-70 -68.75 -44.85 72.9 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.529 0.204 . . . . 0.0 111.431 173.892 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 414' ' ' ARG . . . . . 0.436 ' HG2' ' O ' ' A' ' 411' ' ' SER . 16.5 ptp180 -72.73 -10.19 59.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.227 0.537 . . . . 0.0 110.421 178.069 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.77 13.5 34.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.814 174.553 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.638 ' O ' ' HB ' ' A' ' 420' ' ' ILE . 54.0 mt -106.53 -51.93 2.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.251 170.348 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . 0.65 ' HB2' HG12 ' A' ' 420' ' ' ILE . 78.4 mt-30 54.44 -159.53 0.17 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.28 176.791 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -97.9 -22.21 16.33 Favored Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.887 176.251 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -126.83 19.36 6.17 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.338 -0.934 . . . . 0.0 114.152 -175.755 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 420' ' ' ILE . . . . . 0.65 HG12 ' HB2' ' A' ' 417' ' ' GLN . 49.9 mm -95.49 118.69 42.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 117.685 0.743 . . . . 0.0 109.459 174.277 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . 0.501 ' HB3' ' HZ2' ' A' ' 421' ' ' LYS . 7.5 mtpm? -84.63 86.71 7.28 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.282 -179.275 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . 0.445 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 10.1 t70 -132.2 140.9 48.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.95 -178.96 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 78.6 mt -113.73 -35.54 5.14 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-O 121.356 0.598 . . . . 0.0 110.472 179.179 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 4.4 m -59.37 -40.05 85.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.876 -175.885 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . 0.803 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 0.3 OUTLIER -56.92 -33.68 67.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.96 -179.785 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 426' ' ' GLU . . . . . 0.44 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 37.1 tt0 -74.66 -44.87 48.22 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -177.018 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -64.8 -30.29 71.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.484 0.659 . . . . 0.0 110.02 176.245 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -76.21 -40.86 51.16 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.873 -178.423 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . 0.791 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.4 pp -64.95 -32.35 74.02 Favored 'General case' 0 CA--C 1.513 -0.451 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.835 178.776 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 430' ' ' TRP . . . . . 0.521 ' N ' HD13 ' A' ' 429' ' ' LEU . 1.5 t90 -78.77 -27.77 44.67 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 120.376 -0.529 . . . . 0.0 110.406 179.624 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 44.1 tt0 -62.58 -57.0 12.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.378 179.272 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.637 HG11 HD13 ' A' ' 408' ' ' LEU . 33.4 m -68.39 -32.14 54.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.039 179.883 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -65.89 -49.94 66.27 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.241 -179.778 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 434' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 14.8 ptm180 -63.14 -33.86 76.37 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.793 -176.655 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 435' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 431' ' ' GLU . 66.2 mt -66.8 -55.29 18.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.919 179.307 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . 0.714 HD22 HG13 ' A' ' 402' ' ' ILE . 4.5 pp -63.61 -32.62 74.15 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.415 -178.502 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 437' ' ' THR . . . . . 0.787 ' HA ' ' HE3' ' A' ' 440' ' ' LYS . 90.0 m -66.91 -55.71 13.46 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.712 178.07 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.72 -41.99 98.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.336 -175.795 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.58 HD22 ' HB ' ' A' ' 398' ' ' ILE . 45.7 tp -59.9 -59.4 5.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.323 -177.606 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 440' ' ' LYS . . . . . 0.787 ' HE3' ' HA ' ' A' ' 437' ' ' THR . 18.9 pttp -61.93 -32.15 72.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.687 0.28 . . . . 0.0 111.508 -174.488 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 441' ' ' ARG . . . . . 0.965 ' HD2' ' HG3' ' A' ' 445' ' ' GLU . 29.5 mmm180 -75.32 -47.93 25.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.983 -178.137 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -74.57 -24.16 58.87 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.516 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . 0.545 HD21 HE21 ' A' ' 395' ' ' GLN . 8.5 tt -88.79 -51.15 5.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.715 0.293 . . . . 0.0 111.133 -176.954 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . 0.465 ' HD3' ' OE1' ' A' ' 395' ' ' GLN . 49.7 ttp180 -107.71 -30.38 8.6 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -171.089 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . 0.965 ' HG3' ' HD2' ' A' ' 441' ' ' ARG . 5.9 mm-40 -91.78 9.91 30.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.216 0.532 . . . . 0.0 110.665 -172.76 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.413 -0.803 . . . . 0.0 110.412 -179.888 . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.84 0 N-CA-C 111.842 -0.503 . . . . 0.0 111.842 . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 9.9 p -81.66 89.89 6.28 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 175.657 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -81.45 -81.67 0.13 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.17 -175.459 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 394' ' ' THR . . . . . 0.404 ' O ' HD22 ' A' ' 443' ' ' LEU . 4.6 p -90.46 73.45 6.92 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 120.816 0.341 . . . . 0.0 111.177 -178.835 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . 0.589 ' HA ' HD22 ' A' ' 443' ' ' LEU . 24.9 tp60 -62.42 -36.57 82.79 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 121.343 0.592 . . . . 0.0 109.643 178.279 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . 0.483 ' HA ' ' HB2' ' A' ' 399' ' ' LYS . . . -66.75 -9.8 40.49 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.887 176.373 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.08 -64.73 3.44 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 178.679 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.559 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -66.49 -26.09 36.76 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.312 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . 0.491 ' O ' HG22 ' A' ' 402' ' ' ILE . 62.3 mmtt -62.4 -52.15 64.71 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.991 179.152 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -68.64 -44.82 73.36 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.764 -0.774 . . . . 0.0 109.647 176.22 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -63.75 -34.34 77.66 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.912 -176.699 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 402' ' ' ILE . . . . . 0.491 HG22 ' O ' ' A' ' 399' ' ' LYS . 11.2 tp -69.07 -39.68 79.84 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.307 0 CA-C-N 118.276 0.489 . . . . 0.0 110.192 179.279 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.569 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 83.3 mtp180 -59.98 -41.09 91.27 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 120.982 0.42 . . . . 0.0 109.928 176.255 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . 0.413 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 54.7 mtp180 -78.88 -38.93 36.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.575 -176.726 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 405' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -73.89 -40.71 63.0 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 122.464 -0.148 . . . . 0.0 110.979 -179.677 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -66.83 -29.2 69.07 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.336 -0.546 . . . . 0.0 109.678 174.449 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.569 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.8 t80 -62.96 -55.47 25.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.527 176.504 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . 0.516 HD13 ' N ' ' A' ' 409' ' ' LEU . 3.1 pp -70.4 -31.64 68.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.258 179.272 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 409' ' ' LEU . . . . . 0.516 ' N ' HD13 ' A' ' 408' ' ' LEU . 17.4 tp -58.88 -49.93 75.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.199 0.523 . . . . 0.0 109.631 175.291 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -61.87 -39.81 93.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.021 177.331 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 52.5 m -64.7 -55.2 21.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.545 -179.471 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.805 HD11 ' HB3' ' A' ' 429' ' ' LEU . 4.4 pp -65.87 -22.9 66.56 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.677 0.275 . . . . 0.0 111.089 -178.326 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . 0.408 ' N ' HD13 ' A' ' 412' ' ' LEU . 22.7 m170 -67.44 -34.96 78.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.049 0.452 . . . . 0.0 110.123 172.384 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 53.4 mtm180 -71.45 -26.74 62.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.42 176.373 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -80.05 4.81 15.92 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.891 0.377 . . . . 0.0 110.714 175.168 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 412' ' ' LEU . 75.7 mt -112.73 -3.39 14.25 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.527 176.847 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -122.18 148.35 45.05 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.195 -175.63 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 102.56 15.78 24.05 Favored Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.875 179.902 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 86.45 48.15 4.63 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.142 -178.573 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 42.9 mt -117.68 139.62 44.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.698 0.285 . . . . 0.0 110.481 -179.008 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -112.58 112.76 24.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.33 175.771 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . 0.59 ' CG ' ' HD3' ' A' ' 425' ' ' LYS . 9.9 t0 -155.88 115.02 3.53 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.683 179.214 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 80.0 mt -87.66 -17.57 31.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.742 -176.716 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 47.4 m -74.35 -38.94 63.08 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.72 -176.183 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . 0.59 ' HD3' ' CG ' ' A' ' 422' ' ' ASP . 11.9 mptt -60.31 -33.33 72.22 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 120.722 0.296 . . . . 0.0 110.962 177.907 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 426' ' ' GLU . . . . . 0.65 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 40.4 mt-10 -71.64 -48.42 47.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.712 -177.052 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -66.19 -28.98 69.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.151 0.501 . . . . 0.0 110.405 175.915 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -75.12 -40.75 59.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.857 -177.41 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . 0.805 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.3 pp -63.07 -37.96 89.28 Favored 'General case' 0 CA--C 1.513 -0.479 0 C-N-CA 120.643 -0.423 . . . . 0.0 109.888 178.993 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 4.3 t90 -73.71 -26.84 60.89 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.52 179.724 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.58 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 38.9 tt0 -65.29 -52.53 53.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.047 177.798 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 18.6 m -69.85 -33.7 57.07 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.422 179.127 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -62.36 -45.64 92.28 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 120.845 0.355 . . . . 0.0 110.258 179.348 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 434' ' ' ARG . . . . . 0.58 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 37.6 ptt180 -68.14 -28.09 67.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.066 -179.02 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 435' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 431' ' ' GLU . 82.8 mt -72.91 -58.8 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 121.112 -0.235 . . . . 0.0 110.871 177.33 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . 0.432 HD12 ' N ' ' A' ' 437' ' ' THR . 4.1 pp -58.15 -35.43 71.53 Favored 'General case' 0 C--N 1.333 -0.135 0 O-C-N 123.073 0.233 . . . . 0.0 110.818 -177.604 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 437' ' ' THR . . . . . 0.432 ' N ' HD12 ' A' ' 436' ' ' LEU . 93.2 m -67.43 -58.67 4.33 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.884 176.997 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.22 -40.93 95.84 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.006 -175.03 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 53.0 tp -59.64 -58.61 7.82 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.312 -177.4 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 440' ' ' LYS . . . . . 0.674 ' O ' ' HG2' ' A' ' 444' ' ' ARG . 11.5 pttp -61.14 -28.53 69.18 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 121.029 0.442 . . . . 0.0 110.83 -175.522 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 441' ' ' ARG . . . . . 0.412 ' HG2' ' O ' ' A' ' 437' ' ' THR . 40.3 mmt180 -68.0 -58.38 4.61 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.888 178.284 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 6.6 ptmm? -78.22 8.94 4.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 111.067 -179.724 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . 0.589 HD22 ' HA ' ' A' ' 395' ' ' GLN . 50.0 tp -103.07 -62.69 1.25 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.059 176.262 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . 0.674 ' HG2' ' O ' ' A' ' 440' ' ' LYS . 6.7 ptm180 -81.57 -34.45 31.06 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -172.373 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -121.9 32.88 5.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.306 0.574 . . . . 0.0 111.071 -169.893 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.816 0 CA-C-O 118.335 -0.84 . . . . 0.0 109.879 175.375 . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.721 0 N-CA-C 112.057 -0.417 . . . . 0.0 112.057 . . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' A' A ' 392' ' ' SER . . . . . 0.756 ' HA ' ' HG ' ' A' ' 443' ' ' LEU . 66.1 m -92.22 107.24 19.07 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.862 0.363 . . . . 0.0 110.912 -179.664 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . 0.613 ' H ' HD11 ' A' ' 443' ' ' LEU . 8.5 tt0 -80.59 -73.55 0.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.618 177.949 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 1.5 p -110.38 86.94 2.4 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.395 0.616 . . . . 0.0 111.775 -177.64 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . 0.606 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 22.5 mm-40 -71.77 -36.36 70.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.7 175.233 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -66.67 -22.91 66.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.225 175.887 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -59.88 -52.94 49.9 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.056 -179.84 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.597 ' HB ' HD23 ' A' ' 439' ' ' LEU . 0.0 OUTLIER -70.19 -37.45 71.67 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.63 0 C-N-CA 120.719 -0.393 . . . . 0.0 109.97 178.631 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . 0.606 ' HG2' ' O ' ' A' ' 395' ' ' GLN . 13.8 mmmm -59.99 -45.8 91.53 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.692 -175.696 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -68.69 -45.55 71.35 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.116 0.484 . . . . 0.0 110.875 179.297 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -70.37 -35.27 73.43 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.984 -177.513 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 402' ' ' ILE . . . . . 0.744 HG13 HD21 ' A' ' 436' ' ' LEU . 15.2 tt -66.92 -30.86 51.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -179.712 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.588 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 72.8 mtp180 -59.09 -50.35 74.41 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 172.255 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . 0.476 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 41.2 mtm180 -64.31 -49.9 69.94 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.688 178.788 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 405' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -64.0 -46.67 83.51 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.205 -174.401 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -73.69 -20.29 60.58 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.068 -0.653 . . . . 0.0 110.865 179.886 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.588 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.8 t80 -71.31 -49.75 39.53 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.599 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . 0.481 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.7 pp -73.13 -28.36 62.2 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.639 177.513 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 409' ' ' LEU . . . . . 0.466 ' N ' HD12 ' A' ' 408' ' ' LEU . 9.4 tt -60.16 -45.67 92.31 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 173.494 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -54.59 -46.02 73.69 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.643 175.488 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 411' ' ' SER . . . . . 0.467 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 6.8 t -63.35 -57.54 10.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.034 -179.252 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.562 HD13 ' HB3' ' A' ' 429' ' ' LEU . 4.4 pp -67.47 -20.86 65.53 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 120.761 0.315 . . . . 0.0 111.224 -178.261 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -64.61 -46.86 80.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.83 0.348 . . . . 0.0 110.663 176.238 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 414' ' ' ARG . . . . . 0.467 ' HG2' ' O ' ' A' ' 411' ' ' SER . 6.7 ptm180 -78.62 -13.17 59.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.865 0.364 . . . . 0.0 110.612 -177.405 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.67 -11.74 60.53 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.68 172.806 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.533 HD22 ' HB2' ' A' ' 425' ' ' LYS . 81.3 mt -86.37 -1.22 57.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.802 176.401 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -127.95 147.74 50.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.977 0.418 . . . . 0.0 111.264 -175.05 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 111.54 29.49 3.38 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.652 -177.33 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 78.91 21.27 68.69 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.693 -178.456 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 43.5 mm -96.85 119.68 45.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.852 0.358 . . . . 0.0 110.945 -177.899 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . 0.475 ' HE3' HD22 ' A' ' 423' ' ' LEU . 51.3 tptt -98.54 81.43 2.71 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.183 0.516 . . . . 0.0 109.61 175.201 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . 0.666 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 12.5 t70 -122.59 133.01 54.56 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.925 -179.295 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . 0.475 HD22 ' HE3' ' A' ' 421' ' ' LYS . 3.5 mm? -104.73 -11.95 16.59 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.141 0.496 . . . . 0.0 110.58 -179.669 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 424' ' ' SER . . . . . 0.456 ' O ' ' HG2' ' A' ' 428' ' ' ARG . 64.7 m -72.99 -42.27 63.47 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.899 -176.769 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . 0.666 ' HG2' ' OD1' ' A' ' 422' ' ' ASP . 48.0 mmtt -57.97 -37.54 74.4 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.399 0.618 . . . . 0.0 109.758 178.748 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 426' ' ' GLU . . . . . 0.557 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 9.0 tp10 -62.79 -50.67 70.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.581 -1.191 . . . . 0.0 109.973 -177.387 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -73.31 -18.03 61.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.069 178.872 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 428' ' ' ARG . . . . . 0.456 ' HG2' ' O ' ' A' ' 424' ' ' SER . 33.3 mmt180 -79.52 -43.37 23.23 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.157 178.754 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . 0.562 ' HB3' HD13 ' A' ' 412' ' ' LEU . 4.5 pp -63.99 -35.94 82.33 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 177.748 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -76.27 -26.98 56.47 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.232 179.124 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.489 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 42.4 tt0 -63.29 -57.52 10.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.822 178.169 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 24.8 m -68.54 -31.53 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.238 -179.933 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -63.26 -44.41 95.22 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.967 0.413 . . . . 0.0 110.286 -179.842 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 434' ' ' ARG . . . . . 0.489 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 12.3 ptt180 -72.46 -28.51 62.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.925 -178.352 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 435' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 431' ' ' GLU . 73.1 mt -68.17 -54.77 19.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 116.717 -0.219 . . . . 0.0 111.009 177.936 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . 0.744 HD21 HG13 ' A' ' 402' ' ' ILE . 4.3 pp -63.05 -35.04 78.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.802 179.378 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 437' ' ' THR . . . . . 0.583 ' HA ' ' HE3' ' A' ' 440' ' ' LYS . 97.3 m -71.55 -45.45 62.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.861 -0.154 . . . . 0.0 111.383 -179.945 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . 0.555 ' O ' ' HB2' ' A' ' 442' ' ' LYS . . . -55.42 -48.71 73.99 Favored 'General case' 0 CA--C 1.516 -0.341 0 O-C-N 123.359 0.412 . . . . 0.0 110.886 -178.64 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.597 HD23 ' HB ' ' A' ' 398' ' ' ILE . 34.5 tp -64.1 -57.87 8.33 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.063 -177.368 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 440' ' ' LYS . . . . . 0.583 ' HE3' ' HA ' ' A' ' 437' ' ' THR . 22.9 pttp -64.35 -32.13 73.61 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -172.321 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 441' ' ' ARG . . . . . 0.41 ' HD3' ' HA ' ' A' ' 441' ' ' ARG . 37.3 mmt180 -82.96 -44.78 14.91 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.365 -178.807 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . 0.555 ' HB2' ' O ' ' A' ' 438' ' ' ALA . 14.1 mptt -69.58 -18.41 63.63 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.072 178.093 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . 0.756 ' HG ' ' HA ' ' A' ' 392' ' ' SER . 17.1 tp -94.67 -26.68 16.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.375 -178.849 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -102.97 -40.82 6.34 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -174.768 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -73.83 -21.16 60.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.145 0.498 . . . . 0.0 110.406 -176.771 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.877 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.221 179.409 . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.536 0 N-CA-C 111.731 -0.548 . . . . 0.0 111.731 . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 3.6 t -124.92 132.2 53.32 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -177.465 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 61.16 14.64 5.66 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 174.626 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 15.0 m 70.73 115.53 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 121.043 0.449 . . . . 0.0 111.921 177.693 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -66.99 -34.06 76.93 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 175.641 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 396' ' ' ALA . . . . . 0.452 ' HA ' ' HB2' ' A' ' 399' ' ' LYS . . . -66.09 -10.96 45.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.153 174.676 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.44 -55.03 31.35 Favored Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.596 176.786 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 398' ' ' ILE . . . . . 0.49 ' CD1' ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -70.45 -32.93 51.74 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.609 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 176.861 . . . . . . . . 3 3 . 1 . 050 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . 0.452 ' HB2' ' HA ' ' A' ' 396' ' ' ALA . 71.4 mmtt -55.38 -52.43 63.55 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -178.732 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -72.91 -38.49 66.88 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.73 0.3 . . . . 0.0 111.176 179.444 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.46 -47.17 85.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.367 178.313 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 402' ' ' ILE . . . . . 0.434 HG13 ' HB2' ' A' ' 436' ' ' LEU . 13.2 tt -65.83 -30.47 50.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.502 -177.209 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.626 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 89.5 mtt180 -57.55 -49.86 74.97 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.176 173.091 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 404' ' ' ARG . . . . . 0.504 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 63.5 mtm180 -72.54 -43.0 64.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.114 -179.782 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 405' ' ' GLN . . . . . 0.456 ' O ' ' HB2' ' A' ' 409' ' ' LEU . 75.1 mt-30 -65.15 -42.7 93.53 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.975 -177.344 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -78.65 -20.01 51.28 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.07 -0.652 . . . . 0.0 110.729 177.884 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 407' ' ' PHE . . . . . 0.626 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 4.1 t80 -69.18 -51.56 36.83 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 175.249 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . 0.506 HD12 ' N ' ' A' ' 409' ' ' LEU . 3.4 pp -70.63 -29.74 66.19 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.31 176.805 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 409' ' ' LEU . . . . . 0.568 ' O ' ' HB2' ' A' ' 413' ' ' HIS . 7.0 tt -61.04 -49.17 78.48 Favored 'General case' 0 C--O 1.224 -0.257 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 175.018 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.22 -41.54 84.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.735 174.804 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 38.2 m -61.38 -58.18 9.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.958 179.809 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 412' ' ' LEU . . . . . 0.741 HD12 ' HB3' ' A' ' 429' ' ' LEU . 4.6 pp -65.61 -26.1 67.68 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 121.0 0.429 . . . . 0.0 110.987 -179.212 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . 0.568 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 10.4 t-160 -66.48 -34.63 78.35 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 177.423 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -76.67 -26.4 54.76 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.02 177.888 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 415' ' ' ASP . . . . . 0.419 ' OD2' ' HA ' ' A' ' 412' ' ' LEU . 16.2 m-20 -64.29 -18.06 64.23 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.669 175.78 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.543 HD21 ' HB2' ' A' ' 425' ' ' LYS . 49.2 mt -86.11 -16.34 38.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 178.057 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -90.11 149.14 22.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.332 -173.187 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 103.76 21.87 9.37 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 111.419 -0.672 . . . . 0.0 111.419 -178.219 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 69.83 34.33 71.7 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 121.226 -0.511 . . . . 0.0 111.832 -176.413 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 51.4 mm -95.2 122.83 47.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.631 0.253 . . . . 0.0 110.756 -176.447 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -89.18 93.1 9.45 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.074 0.464 . . . . 0.0 110.145 177.036 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . 0.563 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 10.0 t70 -130.82 130.65 43.92 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.495 -179.905 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 83.3 mt -109.4 -13.47 14.59 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.702 -178.941 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 424' ' ' SER . . . . . 0.595 ' O ' ' HG2' ' A' ' 428' ' ' ARG . 78.0 p -71.63 -39.76 70.18 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.326 179.643 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 425' ' ' LYS . . . . . 0.563 ' HG2' ' OD1' ' A' ' 422' ' ' ASP . 41.6 mmtm -71.12 -30.22 66.23 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 177.488 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 426' ' ' GLU . . . . . 0.474 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 4.9 mm-40 -62.88 -51.31 67.49 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.321 179.112 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -67.96 -23.76 65.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.263 178.887 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 428' ' ' ARG . . . . . 0.595 ' HG2' ' O ' ' A' ' 424' ' ' SER . 24.1 mmm180 -75.75 -48.05 23.39 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.111 -179.36 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 429' ' ' LEU . . . . . 0.741 ' HB3' HD12 ' A' ' 412' ' ' LEU . 4.2 pp -62.79 -31.68 72.7 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.511 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -78.18 -29.36 48.48 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.466 179.748 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.603 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 7.7 tp10 -69.1 -57.06 5.91 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 121.153 0.501 . . . . 0.0 109.825 -179.528 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.486 HG22 HD11 ' A' ' 409' ' ' LEU . 30.0 m -67.62 -25.89 34.04 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.959 179.796 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 433' ' ' GLN . . . . . 0.616 ' HB2' ' O ' ' A' ' 429' ' ' LEU . 6.6 tp-100 -59.49 -50.59 73.33 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.756 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 434' ' ' ARG . . . . . 0.603 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 16.5 ptm180 -68.47 -32.67 72.83 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.375 -177.555 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 435' ' ' ILE . . . . . . . . . . . . . 78.6 mt -69.16 -57.17 9.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-N 116.603 -0.272 . . . . 0.0 111.119 -179.722 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 436' ' ' LEU . . . . . 0.502 ' O ' ' HG2' ' A' ' 440' ' ' LYS . 4.4 pp -61.44 -36.39 80.23 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-O 120.533 0.206 . . . . 0.0 111.006 -178.514 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 437' ' ' THR . . . . . 0.683 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 84.9 m -70.1 -49.21 53.11 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 121.111 -0.236 . . . . 0.0 110.991 179.338 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . 0.443 ' O ' ' HD3' ' A' ' 442' ' ' LYS . . . -62.95 -43.77 97.88 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.786 0.326 . . . . 0.0 110.518 -177.408 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.573 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 23.1 tp -60.17 -53.58 55.99 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.632 -175.531 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 440' ' ' LYS . . . . . 0.683 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 54.5 pttt -63.68 -35.44 80.57 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.428 -178.196 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -74.25 -41.5 61.19 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.524 -176.521 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 442' ' ' LYS . . . . . 0.443 ' HD3' ' O ' ' A' ' 438' ' ' ALA . 4.9 mptp? -74.74 -13.54 60.61 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.928 178.609 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 46.0 mt -96.99 -14.12 21.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.467 176.535 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -113.77 -54.11 2.63 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -178.313 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -69.89 -26.17 64.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.815 0.34 . . . . 0.0 110.696 -174.61 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.373 -0.822 . . . . 0.0 110.685 -177.053 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 395' ' ' GLN . . . . . 0.583 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 7.5 tp60 . . . . . 0 CA--C 1.522 -0.111 0 CA-C-O 121.179 0.514 . . . . 0.0 109.753 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -69.16 -18.21 63.91 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.79 174.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.62 -52.88 42.46 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.819 176.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.422 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -67.63 -29.26 44.7 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 177.569 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 399' ' ' LYS . . . . . 0.636 ' O ' ' HG3' ' A' ' 403' ' ' ARG . 32.4 mmtp -60.21 -50.81 72.21 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.842 178.646 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -66.84 -44.63 80.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.095 0.474 . . . . 0.0 110.41 177.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -58.13 -50.33 73.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.54 178.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 402' ' ' ILE . . . . . 0.498 ' HA ' ' HB2' ' A' ' 405' ' ' GLN . 12.1 tt -64.97 -26.09 39.23 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.479 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.623 -174.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.636 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 82.5 mtp180 -63.13 -47.96 80.53 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 173.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 404' ' ' ARG . . . . . 0.436 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 44.4 mtm180 -69.52 -44.87 70.15 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.099 0.476 . . . . 0.0 110.318 178.494 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 405' ' ' GLN . . . . . 0.498 ' HB2' ' HA ' ' A' ' 402' ' ' ILE . 74.4 mt-30 -60.87 -55.28 34.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.429 -0.805 . . . . 0.0 112.024 -179.34 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -61.95 -29.85 70.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.811 0.339 . . . . 0.0 110.849 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.53 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.9 t80 -60.03 -56.72 18.17 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.169 0.509 . . . . 0.0 109.733 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 408' ' ' LEU . . . . . 0.624 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.3 pp -74.01 -29.78 62.12 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.185 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 409' ' ' LEU . . . . . 0.477 ' N ' HD12 ' A' ' 408' ' ' LEU . 5.6 tt -62.07 -50.22 72.85 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 -179.716 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -61.56 -40.98 96.67 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.999 0.428 . . . . 0.0 110.153 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 28.4 t -58.99 -62.31 1.98 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.943 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.645 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 4.2 pp -65.87 -22.69 66.54 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 120.713 0.292 . . . . 0.0 111.067 -177.304 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 413' ' ' HIS . . . . . 0.408 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 2.7 t60 -65.37 -34.11 77.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.108 0.48 . . . . 0.0 110.214 175.435 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -80.14 -22.05 42.48 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.977 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -65.18 -13.24 57.74 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.888 0.375 . . . . 0.0 111.348 174.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 72.8 mt . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.955 177.691 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 422' ' ' ASP . . . . . 0.593 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 10.1 t70 . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 83.7 mt -100.22 -13.38 18.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.202 0.525 . . . . 0.0 110.64 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 9.4 t -73.91 -47.81 35.24 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.0 -172.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 425' ' ' LYS . . . . . 0.645 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 12.0 mptt -62.86 -34.52 77.54 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.31 -177.051 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 426' ' ' GLU . . . . . 0.563 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 28.9 tt0 -74.61 -43.68 54.32 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.883 0.373 . . . . 0.0 110.398 -174.74 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -62.02 -31.61 72.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.479 0.657 . . . . 0.0 110.113 173.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 428' ' ' ARG . . . . . 0.462 ' HD2' HD22 ' A' ' 412' ' ' LEU . 26.3 ttm180 -75.02 -44.2 49.37 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.755 -177.246 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 3.5 pp -62.49 -30.95 71.64 Favored 'General case' 0 CA--C 1.513 -0.447 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.05 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -73.92 -32.68 63.64 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.308 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.469 ' O ' HG13 ' A' ' 435' ' ' ILE . 9.7 tp10 -63.59 -53.16 55.99 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 174.044 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 428' ' ' ARG . 61.5 t -57.68 -45.27 86.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.603 177.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 47.8 tp60 -56.97 -47.71 80.1 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.559 -178.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 434' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -75.73 -26.3 57.35 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.959 -173.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 435' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 431' ' ' GLU . 82.4 mt -71.02 -55.71 13.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 C-N-CA 121.121 -0.232 . . . . 0.0 110.991 177.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 436' ' ' LEU . . . . . 0.443 HD12 ' N ' ' A' ' 437' ' ' THR . 4.3 pp -59.18 -39.41 82.46 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 120.793 0.33 . . . . 0.0 110.582 -178.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 437' ' ' THR . . . . . 0.443 ' N ' HD12 ' A' ' 436' ' ' LEU . 73.0 m -66.19 -56.99 8.6 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.745 179.009 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.97 -40.25 92.69 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -175.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 439' ' ' LEU . . . . . 0.479 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 38.2 tp -61.07 -55.7 29.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.277 -177.453 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 440' ' ' LYS . . . . . 0.422 ' HB3' HG13 ' A' ' 398' ' ' ILE . 18.5 pttp -65.72 -28.5 69.1 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.968 0.413 . . . . 0.0 111.095 -175.583 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -74.39 -46.57 39.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.455 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -65.75 -28.68 69.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.578 0.228 . . . . 0.0 111.508 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 443' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 64.0 mt . . . . . 0 C--N 1.325 -0.476 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -175.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 47.3 tp60 . . . . . 0 N--CA 1.448 -0.56 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -70.79 -29.41 65.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.624 173.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -58.9 -56.05 27.47 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 114.932 -1.031 . . . . 0.0 112.008 178.07 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.614 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -70.55 -32.9 51.29 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.66 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -179.822 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 399' ' ' LYS . . . . . 0.857 ' HA ' ' HE3' ' A' ' 399' ' ' LYS . 0.3 OUTLIER -53.54 -59.17 4.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.885 0.374 . . . . 0.0 111.258 -178.122 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -64.73 -49.36 71.12 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-O 121.158 0.504 . . . . 0.0 110.672 -178.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 401' ' ' GLU . . . . . 0.578 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 11.8 mm-40 -60.11 -42.71 95.31 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.898 -178.322 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 402' ' ' ILE . . . . . 0.614 HD12 HD11 ' A' ' 398' ' ' ILE . 12.1 tt -65.16 -33.23 62.29 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.329 0 CA-C-N 117.866 0.303 . . . . 0.0 110.932 -176.29 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.534 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 52.0 mtp180 -59.24 -44.0 92.36 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 175.561 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 404' ' ' ARG . . . . . 0.431 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 27.9 mtm180 -75.23 -40.28 59.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.178 179.177 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 405' ' ' GLN . . . . . 0.578 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 46.3 mt-30 -62.61 -53.28 56.93 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.522 178.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -60.2 -32.52 71.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.96 0.41 . . . . 0.0 110.25 177.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.534 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.5 t80 -60.61 -53.86 52.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.123 178.738 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 408' ' ' LEU . . . . . 0.478 HD12 ' N ' ' A' ' 409' ' ' LEU . 2.8 pp -75.4 -28.22 59.36 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 121.054 -0.258 . . . . 0.0 111.53 -179.322 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 409' ' ' LEU . . . . . 0.478 ' N ' HD12 ' A' ' 408' ' ' LEU . 6.3 tt -61.49 -46.49 89.79 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 175.194 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -59.53 -39.13 82.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.187 177.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 16.8 t -65.87 -58.43 5.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.203 -179.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.634 ' CD1' ' HB3' ' A' ' 429' ' ' LEU . 4.1 pp -66.17 -21.96 66.34 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 121.829 -0.544 . . . . 0.0 110.743 -179.631 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 413' ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 4.1 t60 -66.55 -39.37 88.52 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.895 174.679 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -80.07 -10.09 59.74 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.76 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -71.6 -18.73 62.21 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.931 0.396 . . . . 0.0 110.394 171.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.606 HD21 ' HB2' ' A' ' 425' ' ' LYS . 84.1 mt . . . . . 0 N--CA 1.466 0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.936 -178.044 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 422' ' ' ASP . . . . . 0.535 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 12.3 t70 . . . . . 0 CA--C 1.52 -0.181 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.6 mp -108.64 -8.23 15.49 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.409 0.623 . . . . 0.0 109.532 177.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 35.1 t -67.57 -49.62 62.35 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.64 -176.166 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 425' ' ' LYS . . . . . 0.606 ' HB2' HD21 ' A' ' 416' ' ' LEU . 33.4 mmtm -65.1 -30.29 71.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.112 -177.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 426' ' ' GLU . . . . . 0.553 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 10.7 tp10 -64.27 -53.18 53.01 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.988 -176.011 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -70.01 -27.38 64.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.213 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 -76.95 -43.22 36.11 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.901 -176.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.634 ' HB3' ' CD1' ' A' ' 412' ' ' LEU . 4.0 pp -60.99 -38.7 86.93 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 177.342 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -71.43 -28.47 64.0 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 120.531 -0.468 . . . . 0.0 109.806 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.629 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 41.4 tt0 -73.45 -50.45 21.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.66 177.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.437 HG12 ' HA ' ' A' ' 429' ' ' LEU . 10.2 p -65.06 -32.28 57.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 178.406 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -65.66 -48.61 71.54 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.046 177.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 434' ' ' ARG . . . . . 0.629 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 24.5 ptt180 -63.22 -31.83 73.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.768 -176.658 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 435' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 431' ' ' GLU . 82.1 mt -69.93 -55.29 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.731 -0.213 . . . . 0.0 110.82 179.247 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 436' ' ' LEU . . . . . 0.488 ' O ' ' HG2' ' A' ' 440' ' ' LYS . 4.6 pp -63.17 -31.42 72.56 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 121.13 -0.228 . . . . 0.0 110.867 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 437' ' ' THR . . . . . 0.64 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 85.5 m -70.82 -53.36 15.61 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.18 177.333 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.5 -32.27 71.29 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.025 0.44 . . . . 0.0 110.596 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 439' ' ' LEU . . . . . 0.5 ' O ' HD23 ' A' ' 443' ' ' LEU . 30.2 tp -68.77 -56.58 7.6 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.54 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 440' ' ' LYS . . . . . 0.64 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 58.1 pttt -62.55 -44.25 96.8 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.676 -0.41 . . . . 0.0 111.669 -177.441 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 441' ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' ' 437' ' ' THR . 16.8 mmm180 -66.78 -36.46 82.47 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.518 -174.227 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -94.55 -2.49 51.48 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 121.078 -0.249 . . . . 0.0 111.574 -177.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 443' ' ' LEU . . . . . 0.5 HD23 ' O ' ' A' ' 439' ' ' LEU . 4.5 mm? . . . . . 0 C--N 1.327 -0.393 0 CA-C-O 121.014 0.435 . . . . 0.0 110.155 175.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 396' ' ' ALA . . . . . 0.656 ' HA ' ' HB2' ' A' ' 399' ' ' LYS . . . -65.91 -12.62 56.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.261 174.181 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -59.85 -55.22 31.62 Favored Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 177.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.446 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -73.49 -32.79 37.73 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.65 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 176.757 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 399' ' ' LYS . . . . . 0.656 ' HB2' ' HA ' ' A' ' 396' ' ' ALA . 1.5 mptm? -60.52 -48.68 80.69 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.678 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -69.63 -44.61 70.27 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-O 120.923 0.392 . . . . 0.0 110.36 178.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 401' ' ' GLU . . . . . 0.486 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 7.4 mm-40 -58.31 -55.27 37.14 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.026 177.772 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 402' ' ' ILE . . . . . 0.414 ' HA ' ' HB2' ' A' ' 405' ' ' GLN . 11.4 tt -59.44 -29.02 41.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 O-C-N 123.172 0.295 . . . . 0.0 110.98 -175.569 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.542 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 88.2 mtt180 -59.73 -51.47 69.63 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.426 -0.51 . . . . 0.0 109.986 173.646 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 404' ' ' ARG . . . . . 0.529 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 54.3 mtm180 -75.0 -38.88 61.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.811 -178.55 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 405' ' ' GLN . . . . . 0.486 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 92.3 mt-30 -63.15 -53.72 48.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.209 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -61.64 -30.17 70.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.889 0.376 . . . . 0.0 110.19 177.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.542 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.1 t80 -62.9 -55.26 27.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.042 179.037 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 408' ' ' LEU . . . . . 0.575 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.8 pp -73.5 -30.29 63.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.975 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 409' ' ' LEU . . . . . 0.534 ' N ' HD12 ' A' ' 408' ' ' LEU . 8.2 tt -61.17 -48.27 82.33 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 175.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -59.19 -38.55 80.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.479 176.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 411' ' ' SER . . . . . 0.606 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 41.0 m -63.52 -60.57 3.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.028 -179.622 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.618 ' CD1' ' HB3' ' A' ' 429' ' ' LEU . 3.6 pp -70.08 -14.64 62.76 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.315 -0.554 . . . . 0.0 111.38 -179.06 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 413' ' ' HIS . . . . . 0.451 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 3.3 t60 -73.82 -40.39 63.37 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 174.038 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 414' ' ' ARG . . . . . 0.606 ' HG2' ' O ' ' A' ' 411' ' ' SER . 15.6 ptm180 -77.81 -13.1 60.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.151 0.501 . . . . 0.0 109.981 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.74 -20.71 65.97 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.568 170.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 38.5 mt . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.006 -176.868 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 422' ' ' ASP . . . . . 0.85 ' HB3' ' HD2' ' A' ' 425' ' ' LYS . 3.4 m-20 . . . . . 0 N--CA 1.449 -0.493 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -59.16 -32.02 69.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.789 -175.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 11.5 p -64.48 -33.67 76.42 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.209 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 425' ' ' LYS . . . . . 0.85 ' HD2' ' HB3' ' A' ' 422' ' ' ASP . 91.1 mttt -69.99 -29.67 66.81 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.816 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 426' ' ' GLU . . . . . 0.503 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 46.1 mt-10 -67.56 -43.54 80.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.546 0.689 . . . . 0.0 109.609 176.187 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -65.57 -28.6 69.26 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.105 176.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 428' ' ' ARG . . . . . 0.512 ' O ' HG23 ' A' ' 432' ' ' VAL . 57.7 mtt180 -72.6 -52.19 16.5 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.707 -179.19 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.618 ' HB3' ' CD1' ' A' ' 412' ' ' LEU . 4.5 pp -59.33 -30.86 68.67 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.429 -179.444 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 430' ' ' TRP . . . . . 0.405 ' N ' HD12 ' A' ' 429' ' ' LEU . 2.2 t90 -71.61 -37.42 70.94 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.444 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.589 ' HA ' ' HG2' ' A' ' 434' ' ' ARG . 30.1 tt0 -70.23 -42.84 71.73 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 120.571 -0.451 . . . . 0.0 109.79 176.709 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 428' ' ' ARG . 60.2 t -56.71 -44.16 80.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.994 0.426 . . . . 0.0 109.998 176.166 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -64.34 -43.32 94.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.418 -178.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 434' ' ' ARG . . . . . 0.589 ' HG2' ' HA ' ' A' ' 431' ' ' GLU . 37.6 ptt180 -71.54 -28.34 63.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.647 -176.679 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 435' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 431' ' ' GLU . 83.2 mt -70.5 -56.05 12.31 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.129 0 CA-C-N 116.795 -0.184 . . . . 0.0 110.522 177.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 436' ' ' LEU . . . . . 0.496 ' O ' ' HG2' ' A' ' 440' ' ' LYS . 4.4 pp -58.62 -33.13 69.7 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.661 0.267 . . . . 0.0 110.74 -177.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 437' ' ' THR . . . . . 0.588 ' O ' ' HG2' ' A' ' 441' ' ' ARG . 84.4 m -68.09 -57.1 6.64 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.672 177.698 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -63.4 -35.06 79.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.532 -176.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 439' ' ' LEU . . . . . 0.422 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 33.4 tp -64.09 -53.76 44.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.814 -176.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 440' ' ' LYS . . . . . 0.496 ' HG2' ' O ' ' A' ' 436' ' ' LEU . 52.6 pttt -64.54 -26.56 68.47 Favored 'General case' 0 CA--C 1.521 -0.171 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.695 -178.151 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 441' ' ' ARG . . . . . 0.588 ' HG2' ' O ' ' A' ' 437' ' ' THR . 38.7 mmt180 -68.0 -49.73 59.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.568 177.424 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -73.05 -11.99 60.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.164 -0.335 . . . . 0.0 111.67 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 443' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 84.9 mt . . . . . 0 C--N 1.326 -0.424 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 395' ' ' GLN . . . . . 0.764 ' HA ' HD21 ' A' ' 443' ' ' LEU . 9.6 mm100 . . . . . 0 C--O 1.234 0.269 0 CA-C-O 121.088 0.471 . . . . 0.0 110.399 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 396' ' ' ALA . . . . . 0.428 ' HA ' ' HB3' ' A' ' 399' ' ' LYS . . . -66.73 -8.58 29.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.898 175.699 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.86 -63.17 5.01 Favored Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.679 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -74.63 -30.66 25.44 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.674 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 177.296 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 399' ' ' LYS . . . . . 0.88 ' HA ' ' HE2' ' A' ' 399' ' ' LYS . 0.1 OUTLIER -58.26 -56.73 18.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.928 0.394 . . . . 0.0 111.427 -176.421 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -77.68 -33.47 53.28 Favored 'General case' 0 N--CA 1.446 -0.646 0 O-C-N 122.074 -0.391 . . . . 0.0 111.122 -177.138 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 401' ' ' GLU . . . . . 0.501 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 19.3 mm-40 -72.92 -30.37 63.85 Favored 'General case' 0 C--O 1.222 -0.372 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.499 178.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 402' ' ' ILE . . . . . 0.679 HD12 HD11 ' A' ' 398' ' ' ILE . 10.2 tt -69.68 -30.42 44.85 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.275 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 176.182 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.627 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 82.9 mtp180 -56.58 -46.93 80.51 Favored 'General case' 0 C--N 1.334 -0.107 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 171.234 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 404' ' ' ARG . . . . . 0.462 ' HD2' ' OE2' ' A' ' 401' ' ' GLU . 90.5 mtt180 -65.36 -54.49 28.04 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.293 176.52 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 405' ' ' GLN . . . . . 0.58 ' O ' ' HB2' ' A' ' 409' ' ' LEU . 47.6 mt-30 -62.6 -35.22 78.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.045 -174.645 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 406' ' ' GLU . . . . . 0.505 ' HG3' HG12 ' A' ' 402' ' ' ILE . 47.2 mt-10 -80.38 -25.3 39.21 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.817 175.587 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.627 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 9.4 t80 -62.67 -55.04 30.54 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 178.149 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 408' ' ' LEU . . . . . 0.561 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.7 pp -72.25 -26.69 62.1 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.829 177.531 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 409' ' ' LEU . . . . . 0.58 ' HB2' ' O ' ' A' ' 405' ' ' GLN . 18.0 tp -59.39 -46.23 89.25 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.073 0.463 . . . . 0.0 109.806 176.196 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -62.89 -43.49 98.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.485 177.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 50.4 m -61.68 -55.5 29.75 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.799 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.796 HD11 ' HB3' ' A' ' 429' ' ' LEU . 4.4 pp -66.89 -19.75 65.79 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 120.814 0.34 . . . . 0.0 111.177 -177.01 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 413' ' ' HIS . . . . . 0.422 ' N ' HD12 ' A' ' 412' ' ' LEU . 10.2 m170 -69.67 -43.5 72.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.907 0.384 . . . . 0.0 110.172 172.052 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -71.66 -21.76 61.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.438 177.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.77 -41.54 97.83 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.128 0.49 . . . . 0.0 110.351 170.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 412' ' ' LEU . 86.9 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.433 -179.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 13.2 t0 . . . . . 0 N--CA 1.451 -0.386 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -69.82 -34.59 73.9 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.576 -176.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 22.6 t -65.38 -45.25 84.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.098 -178.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 425' ' ' LYS . . . . . 0.41 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 0.6 OUTLIER -65.99 -34.32 77.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.033 178.475 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 426' ' ' GLU . . . . . 0.663 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 35.7 tt0 -73.28 -43.98 60.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.939 0.4 . . . . 0.0 110.517 -176.751 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -65.87 -26.03 67.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.085 0.469 . . . . 0.0 109.873 175.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -73.99 -43.35 58.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.418 -178.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.796 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.5 pp -63.74 -36.59 84.38 Favored 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 120.414 -0.515 . . . . 0.0 110.739 -179.029 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 430' ' ' TRP . . . . . 0.524 ' N ' HD12 ' A' ' 429' ' ' LEU . 1.7 t90 -79.25 -25.71 42.54 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 121.056 0.455 . . . . 0.0 110.195 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.644 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 43.3 tt0 -66.14 -53.19 40.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.35 177.42 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.482 HG11 HD11 ' A' ' 408' ' ' LEU . 32.3 m -70.78 -32.91 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 CA-C-O 120.829 0.347 . . . . 0.0 110.822 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -64.82 -43.46 93.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.525 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 434' ' ' ARG . . . . . 0.644 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 32.4 ptt180 -67.65 -34.49 77.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.796 0.331 . . . . 0.0 110.537 -178.206 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 435' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 431' ' ' GLU . 82.6 mt -68.17 -53.6 28.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.01 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 436' ' ' LEU . . . . . 0.47 ' O ' ' HG2' ' A' ' 440' ' ' LYS . 3.8 pp -61.03 -38.41 86.04 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.261 -178.446 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 61.9 m -68.21 -47.05 68.91 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.231 -177.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -57.4 -48.15 79.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.97 0.414 . . . . 0.0 110.776 -178.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 47.6 tp -66.2 -50.29 64.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.711 -177.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 440' ' ' LYS . . . . . 0.516 ' HB3' HG13 ' A' ' 398' ' ' ILE . 21.3 ptmt -61.24 -32.3 72.1 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.699 0.285 . . . . 0.0 111.573 -174.659 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -68.96 -56.95 6.24 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.822 -178.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -68.05 -21.3 65.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.796 0.332 . . . . 0.0 111.534 -177.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 443' ' ' LEU . . . . . 0.764 HD21 ' HA ' ' A' ' 395' ' ' GLN . 61.1 tp . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.965 -176.001 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 18.1 tp60 . . . . . 0 C--O 1.236 0.373 0 CA-C-O 121.585 0.707 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -68.1 -10.5 54.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.466 176.077 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.38 -59.86 8.29 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 176.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.436 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -63.07 -31.53 52.94 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.711 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 176.628 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 399' ' ' LYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 399' ' ' LYS . 0.1 OUTLIER -60.62 -53.12 61.26 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.689 -179.824 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -65.49 -49.07 70.4 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.323 0.582 . . . . 0.0 109.953 176.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -57.74 -49.44 76.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.156 -178.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 402' ' ' ILE . . . . . 0.436 HD12 HD11 ' A' ' 398' ' ' ILE . 11.9 tt -62.82 -30.72 50.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.209 0.052 . . . . 0.0 111.092 -175.383 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.566 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 57.5 mtp180 -58.31 -47.61 83.13 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 174.172 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 404' ' ' ARG . . . . . 0.517 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 14.2 mmt180 -74.42 -41.27 61.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.583 -179.096 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 405' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -64.15 -48.34 76.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.933 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.49 -28.5 68.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.813 0.34 . . . . 0.0 110.332 177.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.566 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 1.9 t80 -66.06 -52.26 50.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.572 178.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 408' ' ' LEU . . . . . 0.667 HD11 HG11 ' A' ' 432' ' ' VAL . 2.5 pp -72.99 -32.5 65.2 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.857 179.733 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 409' ' ' LEU . . . . . 0.597 ' N ' HD12 ' A' ' 408' ' ' LEU . 6.9 tt -60.36 -49.0 79.33 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 175.653 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -54.19 -47.02 72.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.962 175.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 36.7 m -60.94 -58.42 8.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.259 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 4.3 pp -68.15 -20.44 64.89 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 120.884 0.373 . . . . 0.0 111.38 -179.074 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 413' ' ' HIS . . . . . 0.467 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 3.0 t60 -66.9 -35.61 80.39 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 174.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -77.94 -23.62 48.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.821 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 415' ' ' ASP . . . . . 0.529 ' OD2' ' HA ' ' A' ' 412' ' ' LEU . 64.9 m-20 -65.58 -12.71 55.56 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.973 176.162 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.617 HD21 ' HB2' ' A' ' 425' ' ' LYS . 96.4 mt . . . . . 0 C--N 1.328 -0.356 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -176.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 422' ' ' ASP . . . . . 0.488 ' OD2' ' HG2' ' A' ' 425' ' ' LYS . 18.5 t70 . . . . . 0 N--CA 1.456 -0.13 0 CA-C-O 120.805 0.336 . . . . 0.0 110.547 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 91.9 mt -110.57 -11.96 14.4 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.071 0.463 . . . . 0.0 110.625 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 424' ' ' SER . . . . . 0.509 ' O ' ' HG2' ' A' ' 428' ' ' ARG . 41.1 t -70.39 -44.57 67.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.329 -177.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 425' ' ' LYS . . . . . 0.617 ' HB2' HD21 ' A' ' 416' ' ' LEU . 68.0 mmtt -59.05 -30.17 67.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.532 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 426' ' ' GLU . . . . . 0.6 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 45.7 tt0 -71.05 -46.95 61.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.007 -178.377 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -59.37 -32.1 69.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.199 0.523 . . . . 0.0 110.307 173.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 428' ' ' ARG . . . . . 0.509 ' HG2' ' O ' ' A' ' 424' ' ' SER . 20.7 mmm180 -73.27 -46.31 50.6 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.085 -177.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.3 pp -62.91 -35.6 80.6 Favored 'General case' 0 CA--C 1.518 -0.288 0 C-N-CA 121.071 -0.252 . . . . 0.0 110.354 -178.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -75.06 -28.44 60.38 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.614 -178.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.711 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 5.6 tp10 -63.54 -53.26 54.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.215 0.531 . . . . 0.0 109.946 178.217 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.667 HG11 HD11 ' A' ' 408' ' ' LEU . 2.5 m -70.06 -34.18 58.34 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.57 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -62.9 -47.05 84.99 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 120.712 0.291 . . . . 0.0 110.318 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 434' ' ' ARG . . . . . 0.711 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 5.1 ptm180 -63.58 -36.61 84.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.1 -178.497 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 435' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 431' ' ' GLU . 73.7 mt -71.08 -57.56 7.33 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.569 -179.365 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 436' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 437' ' ' THR . 4.5 pp -57.22 -34.99 69.12 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 117.642 0.201 . . . . 0.0 111.483 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 437' ' ' THR . . . . . 0.733 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 93.3 m -68.57 -55.19 12.47 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.791 178.542 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -63.49 -32.59 74.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.677 0.275 . . . . 0.0 111.226 -177.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 439' ' ' LEU . . . . . 0.507 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 26.0 tp -63.21 -56.92 12.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.811 -177.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 440' ' ' LYS . . . . . 0.733 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 55.6 pttt -59.45 -35.6 74.36 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.11 0.481 . . . . 0.0 110.889 -179.356 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 441' ' ' ARG . . . . . 0.456 ' HG2' ' O ' ' A' ' 437' ' ' THR . 51.6 mmm-85 -61.74 -60.0 4.33 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.954 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -71.92 -9.58 58.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.042 -0.527 . . . . 0.0 112.219 -174.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 443' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 74.3 mt . . . . . 0 C--N 1.324 -0.501 0 CA-C-O 120.731 0.301 . . . . 0.0 110.62 174.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -66.53 -14.83 62.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.291 175.164 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.18 -60.75 6.77 Favored Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 178.346 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.563 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -71.09 -29.26 35.94 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.497 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 177.305 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 399' ' ' LYS . . . . . 0.572 ' O ' HG22 ' A' ' 402' ' ' ILE . 0.4 OUTLIER -54.26 -58.06 8.81 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.985 0.421 . . . . 0.0 111.465 179.31 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -71.23 -41.44 70.18 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.799 -177.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -64.19 -38.12 89.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.507 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 402' ' ' ILE . . . . . 0.572 HG22 ' O ' ' A' ' 399' ' ' LYS . 11.1 tt -68.34 -31.89 53.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -178.637 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.571 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 92.2 mtt180 -59.66 -45.04 93.23 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.284 -0.567 . . . . 0.0 110.098 173.051 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 404' ' ' ARG . . . . . 0.411 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 31.9 mmm180 -73.27 -42.11 62.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.013 -178.717 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 405' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -70.82 -46.74 62.24 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.552 -177.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -64.21 -28.99 70.12 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.164 177.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.571 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.3 t80 -61.57 -55.35 31.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.999 176.042 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 408' ' ' LEU . . . . . 0.561 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.4 pp -73.62 -32.44 64.06 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.236 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 409' ' ' LEU . . . . . 0.49 ' O ' ' HB2' ' A' ' 413' ' ' HIS . 6.0 tt -60.81 -48.41 81.93 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.018 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -61.62 -42.38 98.8 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.076 177.216 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 52.8 m -61.42 -54.87 37.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 4.3 pp -69.22 -21.43 63.93 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.887 0.375 . . . . 0.0 111.142 -178.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 413' ' ' HIS . . . . . 0.49 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 1.0 OUTLIER -68.12 -27.32 66.36 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 173.803 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -79.08 -27.73 43.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.412 175.253 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 415' ' ' ASP . . . . . 0.413 ' OD2' ' HA ' ' A' ' 412' ' ' LEU . 10.2 m-20 -70.23 -2.78 14.3 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.73 178.371 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 86.1 mt . . . . . 0 C--N 1.326 -0.443 0 CA-C-O 120.848 0.356 . . . . 0.0 110.582 179.122 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 14.6 t70 . . . . . 0 CA--C 1.517 -0.303 0 CA-C-O 120.664 0.269 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 91.8 mt -115.86 -12.16 11.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.107 175.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 39.4 m -64.61 -44.73 89.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.051 -176.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 425' ' ' LYS . . . . . 0.536 ' CG ' ' HB2' ' A' ' 412' ' ' LEU . 2.9 mppt? -74.71 -20.51 59.82 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.048 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 426' ' ' GLU . . . . . 0.665 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 33.7 tt0 -76.26 -43.23 42.81 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.427 0.632 . . . . 0.0 109.496 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -65.27 -28.36 69.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.823 172.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 428' ' ' ARG . . . . . 0.49 ' O ' ' HB3' ' A' ' 431' ' ' GLU . 62.8 ttt180 -81.87 -35.24 29.49 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.724 -177.22 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.4 pp -62.51 -33.59 75.2 Favored 'General case' 0 CA--C 1.515 -0.367 0 C-N-CA 119.912 -0.715 . . . . 0.0 109.228 174.501 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 430' ' ' TRP . . . . . 0.414 ' N ' HD12 ' A' ' 429' ' ' LEU . 1.7 t90 -76.31 -26.75 56.14 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.859 176.562 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.565 ' O ' HG13 ' A' ' 435' ' ' ILE . 35.3 tt0 -62.25 -62.46 1.75 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.574 177.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 428' ' ' ARG . 2.7 m -67.5 -25.97 34.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.618 -178.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 433' ' ' GLN . . . . . 0.568 ' HB2' ' O ' ' A' ' 429' ' ' LEU . 43.6 tt0 -64.59 -47.6 78.04 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.26 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 434' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 19.7 ptt180 -72.43 -23.51 61.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.674 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 435' ' ' ILE . . . . . 0.565 HG13 ' O ' ' A' ' 431' ' ' GLU . 74.1 mt -69.8 -57.34 8.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.537 176.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 436' ' ' LEU . . . . . 0.51 HD22 HG13 ' A' ' 402' ' ' ILE . 4.5 pp -60.87 -33.56 73.26 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-O 120.723 0.296 . . . . 0.0 110.801 179.074 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 437' ' ' THR . . . . . 0.788 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 81.6 m -70.6 -52.43 21.5 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.371 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -59.7 -37.25 78.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.002 0.429 . . . . 0.0 110.485 -178.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 439' ' ' LEU . . . . . 0.415 ' O ' ' HB2' ' A' ' 443' ' ' LEU . 48.8 tp -63.59 -59.21 4.92 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.813 178.752 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 440' ' ' LYS . . . . . 0.788 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 63.8 pttt -62.39 -28.04 69.5 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -174.618 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 441' ' ' ARG . . . . . 0.415 ' HG2' ' O ' ' A' ' 437' ' ' THR . 40.6 mmt180 -73.92 -50.63 19.22 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.14 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -76.88 -1.95 31.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.876 0.369 . . . . 0.0 111.145 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 443' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' 439' ' ' LEU . 1.2 tm? . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.773 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 395' ' ' GLN . . . . . 0.401 ' OE1' ' HB3' ' A' ' 443' ' ' LEU . 14.5 mm100 . . . . . 0 CA--C 1.52 -0.196 0 CA-C-O 120.983 0.421 . . . . 0.0 110.627 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -71.35 -16.67 62.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.234 173.061 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -66.34 -61.91 5.05 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.594 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.474 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -63.62 -34.01 65.14 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.39 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 399' ' ' LYS . . . . . 0.438 ' HA ' ' HD3' ' A' ' 399' ' ' LYS . 12.6 tppt? -55.64 -52.69 62.97 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 120.918 0.389 . . . . 0.0 111.004 177.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -66.88 -48.12 69.76 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.186 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 401' ' ' GLU . . . . . 0.447 ' HB3' HE21 ' A' ' 405' ' ' GLN . 52.5 mt-10 -63.68 -39.01 93.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.115 -176.447 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 402' ' ' ILE . . . . . 0.442 HG13 ' HB2' ' A' ' 436' ' ' LEU . 14.2 tt -70.05 -35.46 64.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 C-N-CA 121.355 -0.138 . . . . 0.0 110.85 -176.402 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.631 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 74.6 mtt180 -62.8 -41.03 99.11 Favored 'General case' 0 CA--C 1.517 -0.323 0 C-N-CA 120.63 -0.428 . . . . 0.0 109.896 175.639 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 404' ' ' ARG . . . . . 0.486 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 35.0 mmt180 -70.24 -49.17 52.7 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.558 178.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 405' ' ' GLN . . . . . 0.447 HE21 ' HB3' ' A' ' 401' ' ' GLU . 48.1 mt-30 -69.29 -42.51 75.39 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-N 116.132 -0.485 . . . . 0.0 112.217 -175.717 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -71.22 -26.28 62.86 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 119.858 -0.737 . . . . 0.0 110.437 178.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.631 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 1.1 t80 -63.74 -56.5 15.15 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 174.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 408' ' ' LEU . . . . . 0.556 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.6 pp -68.59 -32.16 71.86 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.963 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 409' ' ' LEU . . . . . 0.496 ' N ' HD12 ' A' ' 408' ' ' LEU . 7.3 tt -59.18 -50.77 72.77 Favored 'General case' 0 C--O 1.225 -0.214 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 175.446 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -58.16 -48.2 81.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.86 177.34 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 28.0 m -55.07 -60.81 2.86 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.218 178.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.847 ' HB2' ' HG2' ' A' ' 425' ' ' LYS . 4.5 pp -67.01 -23.8 65.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.791 0.329 . . . . 0.0 111.171 -176.361 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 413' ' ' HIS . . . . . 0.42 ' N ' HD12 ' A' ' 412' ' ' LEU . 16.7 t-160 -63.0 -34.57 77.85 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.165 0.507 . . . . 0.0 109.978 174.459 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -78.34 -23.63 46.88 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.409 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -79.11 7.4 7.54 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.27 177.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.462 HD21 ' HB2' ' A' ' 425' ' ' LYS . 96.9 mt . . . . . 0 C--N 1.323 -0.552 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -178.101 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 14.4 t70 . . . . . 0 N--CA 1.455 -0.217 0 CA-C-O 121.034 0.445 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.6 mp -113.16 -7.91 13.59 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.453 0.644 . . . . 0.0 109.379 176.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 22.9 t -66.93 -48.54 68.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.5 -177.15 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 425' ' ' LYS . . . . . 0.847 ' HG2' ' HB2' ' A' ' 412' ' ' LEU . 3.1 mppt? -76.45 -17.19 59.44 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.633 -179.018 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 426' ' ' GLU . . . . . 0.64 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 1.0 OUTLIER -62.49 -57.13 12.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.737 0.78 . . . . 0.0 109.289 173.848 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -66.13 -24.67 66.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.077 177.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 428' ' ' ARG . . . . . 0.565 ' HB3' ' HA ' ' A' ' 425' ' ' LYS . 12.8 tpt180 -74.99 -43.67 52.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.801 -177.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.655 ' HB3' HD11 ' A' ' 412' ' ' LEU . 3.9 pp -61.2 -41.68 97.25 Favored 'General case' 0 CA--C 1.513 -0.456 0 C-N-CA 120.604 -0.438 . . . . 0.0 109.882 179.016 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 430' ' ' TRP . . . . . 0.411 ' N ' HD12 ' A' ' 429' ' ' LEU . 3.8 t90 -71.12 -28.8 64.57 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.381 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.687 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 39.8 tt0 -65.83 -53.44 40.04 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.409 179.329 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.42 HG23 HD12 ' A' ' 409' ' ' LEU . 13.0 m -70.21 -30.09 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.714 178.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -65.21 -46.07 82.18 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 434' ' ' ARG . . . . . 0.687 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 13.6 ptm180 -65.5 -29.09 69.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.242 -178.683 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 435' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 431' ' ' GLU . 79.2 mt -70.74 -59.49 3.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 121.22 -0.192 . . . . 0.0 110.687 177.299 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 436' ' ' LEU . . . . . 0.442 ' HB2' HG13 ' A' ' 402' ' ' ILE . 4.2 pp -58.38 -32.9 69.02 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.682 0.277 . . . . 0.0 110.874 -179.581 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 437' ' ' THR . . . . . 0.698 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 86.4 m -73.59 -54.08 9.01 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.461 179.306 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -63.95 -32.54 74.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.77 0.319 . . . . 0.0 110.679 -178.406 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 439' ' ' LEU . . . . . 0.566 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 42.5 tp -61.65 -56.63 17.7 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.342 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 440' ' ' LYS . . . . . 0.698 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 51.4 pttt -63.23 -27.53 69.42 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.12 0.486 . . . . 0.0 111.143 179.142 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 441' ' ' ARG . . . . . 0.458 ' HG2' ' O ' ' A' ' 437' ' ' THR . 35.7 mmt180 -69.06 -53.26 21.31 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.973 178.125 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -72.24 -7.06 47.27 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.728 0.299 . . . . 0.0 111.578 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 443' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 56.0 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.346 175.13 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 . . . . . 0 C--O 1.237 0.399 0 CA-C-O 121.529 0.68 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -69.3 -14.89 63.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.978 176.023 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.04 -57.84 15.43 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.485 177.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.536 HD12 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -64.37 -37.5 80.13 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.573 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.28 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 399' ' ' LYS . . . . . 0.673 ' O ' ' HG3' ' A' ' 403' ' ' ARG . 33.6 mmtp -57.92 -50.9 71.77 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.309 -178.483 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 400' ' ' GLU . . . . . 0.418 ' OE1' ' HD3' ' A' ' 403' ' ' ARG . 5.9 tp10 -66.01 -50.57 63.79 Favored 'General case' 0 C--O 1.244 0.805 0 CA-C-O 121.403 0.62 . . . . 0.0 110.576 178.461 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 401' ' ' GLU . . . . . 0.446 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 44.0 mt-10 -57.33 -50.69 72.15 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.913 -179.08 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 402' ' ' ILE . . . . . 0.52 ' HA ' ' HB2' ' A' ' 405' ' ' GLN . 11.5 tt -60.83 -28.99 44.4 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.225 0 N-CA-C 111.355 0.132 . . . . 0.0 111.355 -175.161 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.673 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 56.5 mtp180 -58.89 -52.65 64.83 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 173.45 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 404' ' ' ARG . . . . . 0.462 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 29.9 mmm180 -73.79 -38.98 64.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.229 -178.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 405' ' ' GLN . . . . . 0.52 ' HB2' ' HA ' ' A' ' 402' ' ' ILE . 97.7 mt-30 -60.11 -55.76 29.96 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.548 177.691 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -60.9 -30.37 70.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.949 0.404 . . . . 0.0 110.285 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.466 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 1.9 t80 -63.03 -53.33 55.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.182 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 408' ' ' LEU . . . . . 0.546 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.0 pp -75.62 -29.86 59.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.727 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 409' ' ' LEU . . . . . 0.505 HD12 HG13 ' A' ' 432' ' ' VAL . 6.6 tt -61.17 -46.65 89.65 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 176.35 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -57.72 -40.65 80.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.586 176.154 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 411' ' ' SER . . . . . 0.608 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 30.1 m -65.66 -55.12 19.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.361 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.643 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 3.8 pp -69.44 -19.8 63.78 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 120.294 -0.563 . . . . 0.0 110.752 -179.412 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 413' ' ' HIS . . . . . 0.405 ' N ' HD12 ' A' ' 412' ' ' LEU . 11.5 t-160 -72.72 -39.12 67.19 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.409 173.16 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 414' ' ' ARG . . . . . 0.608 ' HG2' ' O ' ' A' ' 411' ' ' SER . 20.2 ptt180 -76.31 -8.77 57.81 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.567 -179.197 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -63.28 -25.37 68.28 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 167.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 31.0 mt . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.802 -175.611 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 13.3 t70 . . . . . 0 CA--C 1.522 -0.119 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 423' ' ' LEU . . . . . 0.416 ' N ' HD12 ' A' ' 423' ' ' LEU . 5.7 mp -102.31 -16.07 16.39 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.235 0.54 . . . . 0.0 109.741 -178.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 20.0 t -68.01 -51.81 42.76 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.676 -175.18 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 425' ' ' LYS . . . . . 0.643 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 0.0 OUTLIER -74.88 -18.17 60.46 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.438 -177.522 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 426' ' ' GLU . . . . . 0.703 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 34.9 tt0 -72.44 -53.58 11.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.09 0.471 . . . . 0.0 110.242 178.511 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -65.31 -25.48 67.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.156 0.503 . . . . 0.0 110.396 176.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 428' ' ' ARG . . . . . 0.438 ' HE ' ' HB2' ' A' ' 428' ' ' ARG . 8.9 ttm180 -78.79 -39.66 35.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.1 -177.481 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.703 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.3 pp -61.18 -34.85 75.73 Favored 'General case' 0 CA--C 1.514 -0.44 0 C-N-CA 120.358 -0.537 . . . . 0.0 109.68 175.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.1 t90 -71.16 -32.71 69.26 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 120.604 -0.439 . . . . 0.0 110.719 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.634 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 42.6 tt0 -61.34 -55.04 36.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.375 178.079 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.505 HG13 HD12 ' A' ' 409' ' ' LEU . 7.5 p -68.64 -30.79 48.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.584 179.095 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -64.69 -48.43 74.73 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 120.983 0.421 . . . . 0.0 110.256 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 434' ' ' ARG . . . . . 0.634 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 3.9 ptm180 -64.64 -30.05 71.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.11 -177.498 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 435' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 431' ' ' GLU . 86.2 mt -68.29 -59.07 4.08 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.216 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.652 176.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 436' ' ' LEU . . . . . 0.431 ' O ' ' HG2' ' A' ' 440' ' ' LYS . 4.5 pp -60.13 -30.04 69.03 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.895 0.379 . . . . 0.0 111.053 -178.609 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 437' ' ' THR . . . . . 0.451 ' O ' ' HG2' ' A' ' 441' ' ' ARG . 90.5 m -67.43 -59.6 3.25 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.651 176.229 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -64.16 -29.69 70.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.911 0.386 . . . . 0.0 111.029 -178.04 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 439' ' ' LEU . . . . . 0.417 ' HG ' ' HB ' ' A' ' 398' ' ' ILE . 21.5 tp -64.14 -61.41 2.27 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 -177.12 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 440' ' ' LYS . . . . . 0.536 ' HB3' HD12 ' A' ' 398' ' ' ILE . 24.1 pttm -63.95 -30.35 71.44 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.425 -176.231 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 441' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 437' ' ' THR . 30.7 mmm180 -70.13 -58.04 4.25 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.43 178.606 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -67.58 -15.1 63.48 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -177.148 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 443' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 439' ' ' LEU . 3.8 mm? . . . . . 0 C--N 1.327 -0.399 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 . . . . . 0 C--O 1.241 0.645 0 CA-C-O 122.059 0.933 . . . . 0.0 108.601 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 396' ' ' ALA . . . . . 0.674 ' HA ' ' HB2' ' A' ' 399' ' ' LYS . . . -63.65 -8.12 9.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.877 173.132 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.4 -63.51 4.8 Favored Glycine 0 N--CA 1.443 -0.893 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.555 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -71.46 -28.04 30.54 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.594 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.245 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 399' ' ' LYS . . . . . 0.674 ' HB2' ' HA ' ' A' ' 396' ' ' ALA . 2.7 mptp? -60.63 -52.3 65.73 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.275 178.545 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -64.81 -50.14 67.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.186 0.517 . . . . 0.0 110.021 176.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 401' ' ' GLU . . . . . 0.451 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 41.8 mt-10 -61.8 -38.19 87.19 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.886 -175.638 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 402' ' ' ILE . . . . . 0.445 HD12 HD11 ' A' ' 398' ' ' ILE . 12.6 tt -68.63 -35.43 70.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 118.217 0.462 . . . . 0.0 110.498 -177.546 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.62 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 70.8 mtp180 -63.36 -44.93 93.4 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.006 -0.677 . . . . 0.0 109.796 174.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 404' ' ' ARG . . . . . 0.462 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 75.7 mtp180 -66.3 -50.45 63.62 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.113 178.594 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 405' ' ' GLN . . . . . 0.464 HE21 HG13 ' A' ' 432' ' ' VAL . 49.2 mt-30 -67.39 -49.8 62.37 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 116.002 -0.544 . . . . 0.0 112.279 -176.098 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -63.41 -27.2 69.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 118.255 0.479 . . . . 0.0 110.418 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.62 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.9 t80 -65.12 -55.15 20.35 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.901 176.807 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 408' ' ' LEU . . . . . 0.503 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.6 pp -72.28 -27.02 62.21 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.8 179.255 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 409' ' ' LEU . . . . . 0.478 ' N ' HD12 ' A' ' 408' ' ' LEU . 14.7 tp -63.81 -47.82 79.34 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 176.199 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -55.54 -41.53 73.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.372 173.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 411' ' ' SER . . . . . 0.641 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 24.5 m -63.38 -59.57 4.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.182 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.612 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 4.0 pp -66.53 -19.38 65.77 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.789 -177.122 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -68.02 -37.83 81.86 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.801 0.334 . . . . 0.0 110.605 172.141 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 414' ' ' ARG . . . . . 0.641 ' HG2' ' O ' ' A' ' 411' ' ' SER . 5.3 ptp180 -78.17 -13.67 59.77 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 177.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -79.43 -8.21 58.95 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.527 173.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 95.9 mt . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.613 178.642 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 422' ' ' ASP . . . . . 0.61 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 11.6 t70 . . . . . 0 C--O 1.231 0.117 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 74.5 mt -109.67 -29.67 8.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.129 0.49 . . . . 0.0 110.636 -178.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 50.4 m -68.58 -44.61 74.03 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.136 -175.382 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 425' ' ' LYS . . . . . 0.612 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 9.6 mptt -60.99 -34.91 75.52 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.062 0.458 . . . . 0.0 110.811 -179.512 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 426' ' ' GLU . . . . . 0.536 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 11.6 tp10 -64.45 -58.46 6.37 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.233 -177.412 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -65.63 -24.7 67.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.95 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 428' ' ' ARG . . . . . 0.403 ' O ' HG23 ' A' ' 432' ' ' VAL . 16.1 tpt180 -73.08 -44.04 61.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.271 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 3.0 pp -66.09 -37.05 84.82 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.588 -175.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -73.58 -33.49 64.66 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.18 0.514 . . . . 0.0 110.008 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.486 ' O ' HG13 ' A' ' 435' ' ' ILE . 41.8 tt0 -61.22 -52.48 64.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.631 174.09 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.464 HG13 HE21 ' A' ' 405' ' ' GLN . 71.0 t -56.79 -50.31 75.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.315 177.19 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -59.21 -43.59 92.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.845 -176.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 434' ' ' ARG . . . . . 0.468 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 13.0 ptt180 -71.37 -25.06 62.21 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.156 -175.267 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 435' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 431' ' ' GLU . 76.9 mt -74.91 -53.96 15.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-O 120.536 0.208 . . . . 0.0 111.094 178.747 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 436' ' ' LEU . . . . . . . . . . . . . 4.3 pp -61.86 -34.25 75.65 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.603 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 85.9 m -72.34 -44.93 61.93 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.031 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.23 -44.54 95.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.975 0.417 . . . . 0.0 110.719 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 439' ' ' LEU . . . . . 0.494 HD23 ' HB ' ' A' ' 398' ' ' ILE . 42.5 tp -61.99 -57.89 9.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.607 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 440' ' ' LYS . . . . . 0.555 ' HB3' HG13 ' A' ' 398' ' ' ILE . 20.6 ptmt -59.22 -38.4 79.86 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.928 0.394 . . . . 0.0 111.56 -174.367 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 -72.63 -42.01 64.9 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.588 -176.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -85.28 -6.34 59.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.574 0.226 . . . . 0.0 111.491 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 57.1 tp . . . . . 0 C--N 1.325 -0.483 0 CA-C-O 120.627 0.251 . . . . 0.0 110.792 178.101 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 . . . . . 0 C--O 1.235 0.335 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -67.87 -11.62 59.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.405 174.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.95 -58.76 11.39 Favored Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.381 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.562 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -69.41 -31.04 47.84 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.501 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 177.68 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 399' ' ' LYS . . . . . 0.897 ' HA ' ' HE3' ' A' ' 399' ' ' LYS . 0.3 OUTLIER -54.37 -62.98 1.3 Allowed 'General case' 0 C--O 1.236 0.366 0 CA-C-O 120.896 0.379 . . . . 0.0 111.815 -179.531 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 400' ' ' GLU . . . . . 0.522 ' OE1' ' HD2' ' A' ' 403' ' ' ARG . 6.2 tp10 -67.96 -43.28 79.39 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.156 0.503 . . . . 0.0 110.317 -175.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 401' ' ' GLU . . . . . 0.486 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 51.9 mm-40 -61.66 -43.76 98.24 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.148 -179.455 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 402' ' ' ILE . . . . . 0.562 HD12 HD11 ' A' ' 398' ' ' ILE . 11.5 tt -63.42 -31.29 52.32 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.219 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.689 -176.535 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.526 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 84.8 mtt180 -58.67 -49.47 77.44 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.182 0.515 . . . . 0.0 109.833 173.547 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 30.3 mmm180 -71.45 -40.8 70.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.982 -178.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 405' ' ' GLN . . . . . 0.505 ' OE1' ' HB3' ' A' ' 436' ' ' LEU . 96.9 mt-30 -67.5 -49.32 64.01 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.508 -178.7 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -62.69 -30.11 71.15 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.098 0.475 . . . . 0.0 109.801 176.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.526 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.3 t80 -60.84 -54.09 49.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.72 177.281 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 408' ' ' LEU . . . . . 0.536 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.5 pp -73.32 -29.36 62.63 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.182 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 409' ' ' LEU . . . . . 0.479 ' O ' ' HB2' ' A' ' 413' ' ' HIS . 7.1 tt -62.91 -46.75 86.34 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.114 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -60.25 -41.19 92.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.34 0.591 . . . . 0.0 109.955 177.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 30.6 t -64.77 -56.37 14.0 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.22 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 4.3 pp -67.72 -19.26 65.13 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.549 -0.46 . . . . 0.0 111.047 -179.158 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 413' ' ' HIS . . . . . 0.479 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 17.2 t-160 -66.69 -42.28 86.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.048 175.754 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -79.77 -12.47 59.78 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.001 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -66.72 -18.07 65.18 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.927 0.394 . . . . 0.0 111.383 173.311 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.481 HD21 ' HB2' ' A' ' 425' ' ' LYS . 68.8 mt . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.684 178.389 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 422' ' ' ASP . . . . . 0.491 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 11.2 t70 . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.876 0.369 . . . . 0.0 110.426 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 423' ' ' LEU . . . . . 0.429 ' N ' HD12 ' A' ' 423' ' ' LEU . 5.3 mp -114.6 -22.65 9.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.081 0.467 . . . . 0.0 110.481 178.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 58.2 p -63.37 -45.69 89.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.702 -174.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 425' ' ' LYS . . . . . 0.491 ' HD3' ' OD1' ' A' ' 422' ' ' ASP . 13.5 mptt -66.48 -26.22 67.08 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.739 0.304 . . . . 0.0 110.978 -177.465 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 426' ' ' GLU . . . . . 0.685 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 41.2 tt0 -71.73 -44.16 64.62 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.319 0.581 . . . . 0.0 109.715 -178.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -69.55 -22.99 63.51 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.906 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -77.62 -42.87 33.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.075 179.008 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.685 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.6 pp -61.32 -32.41 72.28 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 177.744 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 430' ' ' TRP . . . . . 0.413 ' N ' HD12 ' A' ' 429' ' ' LEU . 1.8 t90 -78.67 -33.94 46.68 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.366 177.632 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.605 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 32.1 tt0 -59.38 -58.5 8.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.326 176.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.438 HG13 HD12 ' A' ' 409' ' ' LEU . 10.1 p -66.22 -30.44 49.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.813 -178.408 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 433' ' ' GLN . . . . . 0.545 ' HB2' ' O ' ' A' ' 429' ' ' LEU . 47.9 tt0 -64.82 -48.19 75.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.103 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 434' ' ' ARG . . . . . 0.605 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 5.2 ptm180 -67.41 -30.8 70.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.483 -176.531 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 435' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 431' ' ' GLU . 87.2 mt -69.5 -52.48 32.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.852 179.305 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 436' ' ' LEU . . . . . 0.505 ' HB3' ' OE1' ' A' ' 405' ' ' GLN . 4.5 pp -63.94 -33.06 74.85 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.797 0.332 . . . . 0.0 110.431 -179.441 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 437' ' ' THR . . . . . 0.834 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 74.0 m -70.23 -54.02 14.53 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.035 178.325 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.06 -37.48 79.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.638 0.256 . . . . 0.0 111.093 -176.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 439' ' ' LEU . . . . . 0.471 ' O ' ' HB2' ' A' ' 443' ' ' LEU . 47.2 tp -65.12 -56.69 11.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.892 -179.511 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 440' ' ' LYS . . . . . 0.834 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 62.5 pttt -61.36 -31.78 71.67 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.748 0.308 . . . . 0.0 110.917 -177.158 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 441' ' ' ARG . . . . . 0.448 ' HG2' ' O ' ' A' ' 437' ' ' THR . 35.7 mmt180 -64.96 -61.78 1.95 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.464 177.627 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -79.67 7.91 7.56 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -175.001 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 443' ' ' LEU . . . . . 0.471 ' HB2' ' O ' ' A' ' 439' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.323 -0.581 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 171.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 . . . . . 0 N--CA 1.455 -0.202 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -71.39 -11.83 61.1 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.929 173.052 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.55 -57.18 11.82 Favored Glycine 0 N--CA 1.446 -0.694 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.551 177.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.79 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -69.0 -32.56 54.96 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.508 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 176.719 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 399' ' ' LYS . . . . . 0.836 ' HA ' ' HE3' ' A' ' 399' ' ' LYS . 0.1 OUTLIER -57.21 -48.32 79.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.74 0.305 . . . . 0.0 110.321 177.059 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -65.28 -53.03 50.21 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.385 0.612 . . . . 0.0 110.716 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -61.55 -35.7 78.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.248 -178.046 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 402' ' ' ILE . . . . . 0.79 HD12 HD11 ' A' ' 398' ' ' ILE . 0.5 OUTLIER -67.62 -30.98 50.51 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.527 0 CA-C-N 116.818 -0.174 . . . . 0.0 110.765 179.601 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.583 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 58.1 mtp180 -60.15 -45.2 93.87 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 174.429 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 -68.52 -47.27 67.38 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.695 178.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 405' ' ' GLN . . . . . 0.425 ' OE1' ' HB3' ' A' ' 436' ' ' LEU . 75.8 mt-30 -70.11 -46.52 64.65 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.357 0.502 . . . . 0.0 112.357 -176.124 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 406' ' ' GLU . . . . . 0.49 ' HG2' HG12 ' A' ' 402' ' ' ILE . 35.1 mm-40 -63.85 -32.67 74.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 118.077 0.398 . . . . 0.0 110.377 178.601 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.57 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.0 t80 -60.67 -52.5 64.87 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.04 178.727 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 408' ' ' LEU . . . . . 0.623 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.8 pp -75.18 -27.36 59.61 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.968 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 409' ' ' LEU . . . . . 0.527 HD12 HD11 ' A' ' 412' ' ' LEU . 26.3 tp -62.94 -44.19 96.75 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 175.465 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -62.0 -41.13 97.72 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.332 174.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 41.7 m -65.29 -50.88 64.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.337 -178.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.73 HD13 ' HB3' ' A' ' 429' ' ' LEU . 3.7 pp -69.36 -21.83 63.78 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.597 179.605 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 413' ' ' HIS . . . . . 0.489 ' N ' HD12 ' A' ' 412' ' ' LEU . 9.5 m170 -73.15 -39.23 65.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.78 0.324 . . . . 0.0 110.707 174.74 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -81.96 -2.22 50.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.476 0.655 . . . . 0.0 109.736 175.695 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -89.35 -29.99 18.72 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.256 -0.883 . . . . 0.0 109.381 173.127 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.457 HD21 ' HB2' ' A' ' 425' ' ' LYS . 37.5 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.366 178.169 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 9.8 t70 . . . . . 0 C--O 1.233 0.224 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -104.85 -26.82 12.07 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.994 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 27.5 p -62.98 -39.47 94.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.122 -177.314 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 425' ' ' LYS . . . . . 0.457 ' HB2' HD21 ' A' ' 416' ' ' LEU . 0.2 OUTLIER -65.79 -24.9 67.03 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.842 0.353 . . . . 0.0 110.972 179.554 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 426' ' ' GLU . . . . . 0.753 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 39.7 tt0 -79.8 -48.94 12.74 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.353 0.597 . . . . 0.0 109.977 -177.69 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -67.57 -27.81 67.25 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.196 0.522 . . . . 0.0 110.004 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 428' ' ' ARG . . . . . 0.43 ' O ' ' HB3' ' A' ' 431' ' ' GLU . 49.1 mtp180 -80.77 -30.68 36.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.761 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.753 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.4 pp -67.66 -35.48 78.94 Favored 'General case' 0 CA--C 1.51 -0.586 0 C-N-CA 119.779 -0.768 . . . . 0.0 109.501 176.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -74.69 -28.5 60.85 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.878 178.524 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.587 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 32.4 tt0 -58.78 -62.84 1.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.87 176.039 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 34.3 m -67.56 -28.69 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 C-N-CA 121.056 -0.258 . . . . 0.0 111.212 -178.311 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -65.78 -44.41 85.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.387 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 434' ' ' ARG . . . . . 0.587 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 13.5 ptm180 -70.13 -32.54 70.6 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.291 179.281 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 435' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 431' ' ' GLU . 80.3 mt -67.56 -53.93 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.955 178.134 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 436' ' ' LEU . . . . . 0.483 ' O ' ' HG2' ' A' ' 440' ' ' LYS . 4.5 pp -62.25 -33.14 74.03 Favored 'General case' 0 CA--C 1.523 -0.089 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.891 -178.035 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 437' ' ' THR . . . . . 0.713 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 85.8 m -68.25 -54.78 15.3 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.743 177.542 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.88 -40.54 93.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.133 -177.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 439' ' ' LEU . . . . . 0.432 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 34.7 tp -61.8 -56.29 21.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.437 -176.349 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 440' ' ' LYS . . . . . 0.713 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 51.8 pttt -62.01 -32.2 72.65 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.944 0.402 . . . . 0.0 111.346 -176.544 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 441' ' ' ARG . . . . . 0.481 ' HA ' ' HE ' ' A' ' 441' ' ' ARG . 1.5 mmp_? -77.73 -40.75 40.05 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -178.771 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -75.49 -15.3 60.42 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -178.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 443' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 87.4 mt . . . . . 0 C--N 1.324 -0.503 0 CA-C-O 120.893 0.378 . . . . 0.0 110.889 176.219 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 395' ' ' GLN . . . . . 0.449 ' O ' ' HD3' ' A' ' 399' ' ' LYS . 18.1 mm-40 . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.833 0.349 . . . . 0.0 110.202 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 396' ' ' ALA . . . . . 0.425 ' HA ' ' HB2' ' A' ' 399' ' ' LYS . . . -65.62 -14.51 61.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.828 177.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.03 -63.61 4.26 Favored Glycine 0 N--CA 1.441 -0.985 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.552 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -72.67 -33.27 44.0 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.806 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 178.686 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 399' ' ' LYS . . . . . 0.454 ' O ' HG22 ' A' ' 402' ' ' ILE . 3.0 mptp? -57.75 -54.46 46.64 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -178.07 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -70.65 -44.95 66.07 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.813 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 401' ' ' GLU . . . . . 0.568 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 33.7 mt-10 -63.7 -40.7 97.44 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 111.671 0.249 . . . . 0.0 111.671 -179.489 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 402' ' ' ILE . . . . . 0.552 HD12 HD11 ' A' ' 398' ' ' ILE . 10.5 tt -64.9 -33.25 62.3 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.531 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 -178.705 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.633 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 96.4 mtt180 -61.89 -39.47 92.08 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 120.716 -0.393 . . . . 0.0 109.99 174.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 404' ' ' ARG . . . . . 0.463 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 13.4 mmt180 -72.25 -43.59 64.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.799 176.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 405' ' ' GLN . . . . . 0.568 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 49.2 mt-30 -66.67 -48.84 68.08 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.486 -177.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 406' ' ' GLU . . . . . 0.462 ' HG2' HG12 ' A' ' 402' ' ' ILE . 7.2 mm-40 -63.05 -30.72 71.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.972 0.415 . . . . 0.0 110.105 176.356 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.633 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 5.4 t80 -61.81 -55.73 26.9 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.983 178.607 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 408' ' ' LEU . . . . . 0.625 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.0 pp -73.89 -25.91 60.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.395 179.327 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 409' ' ' LEU . . . . . 0.601 HD12 HD11 ' A' ' 412' ' ' LEU . 23.7 tp -64.95 -43.98 90.95 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 175.333 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -60.45 -41.99 95.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.767 174.176 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 35.5 t -62.68 -52.46 63.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.249 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.631 HD13 ' HB3' ' A' ' 429' ' ' LEU . 3.4 pp -71.37 -21.55 62.01 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.376 -0.529 . . . . 0.0 111.266 -178.413 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 413' ' ' HIS . . . . . 0.507 ' N ' HD12 ' A' ' 412' ' ' LEU . 5.4 m170 -73.89 -40.28 63.3 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.346 174.817 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 414' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 414' ' ' ARG . 13.8 ptp180 -76.23 -7.98 56.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.347 0.594 . . . . 0.0 109.571 175.248 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -84.87 -21.56 29.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.735 174.31 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 412' ' ' LEU . 88.1 mt . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.403 -176.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 422' ' ' ASP . . . . . 0.461 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 9.9 t0 . . . . . 0 N--CA 1.451 -0.408 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -88.35 -19.12 27.08 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.082 -177.213 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 19.1 m -67.98 -43.75 78.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.035 0.445 . . . . 0.0 110.007 -178.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 425' ' ' LYS . . . . . 0.461 ' HD3' ' OD1' ' A' ' 422' ' ' ASP . 0.2 OUTLIER -61.58 -26.91 68.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.522 179.371 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 426' ' ' GLU . . . . . 0.706 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 34.8 tt0 -77.11 -53.52 7.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.188 0.518 . . . . 0.0 110.497 -175.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -63.25 -34.05 76.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.212 0.529 . . . . 0.0 110.235 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 428' ' ' ARG . . . . . 0.447 ' O ' HG23 ' A' ' 432' ' ' VAL . 11.0 mmt180 -70.24 -39.62 74.92 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.032 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.706 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 3.2 pp -62.23 -38.28 88.63 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 120.124 -0.63 . . . . 0.0 110.072 -178.025 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.4 t90 -70.81 -35.9 72.72 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.858 -177.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.603 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 20.4 tp10 -67.99 -41.66 81.95 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 177.439 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 428' ' ' ARG . 72.3 t -61.9 -48.86 86.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.716 175.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -61.68 -45.36 94.35 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.333 -177.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 434' ' ' ARG . . . . . 0.603 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 9.2 ptm180 -65.96 -28.72 69.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.621 -176.089 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 435' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 431' ' ' GLU . 70.5 mt -74.79 -57.77 5.9 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.254 0 CA-C-N 116.874 -0.148 . . . . 0.0 111.159 178.594 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 436' ' ' LEU . . . . . 0.463 HD12 ' N ' ' A' ' 437' ' ' THR . 4.1 pp -57.96 -37.67 74.6 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.737 0.303 . . . . 0.0 110.918 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 437' ' ' THR . . . . . 0.517 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 88.6 m -68.09 -59.49 3.2 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.738 178.141 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.34 -38.15 82.89 Favored 'General case' 0 CA--C 1.52 -0.209 0 C-N-CA 121.235 -0.186 . . . . 0.0 111.027 -175.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 439' ' ' LEU . . . . . 0.441 HD23 ' HB ' ' A' ' 398' ' ' ILE . 46.5 tp -58.78 -58.5 8.35 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.868 -177.29 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 440' ' ' LYS . . . . . 0.517 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 58.5 pttt -61.63 -28.31 69.28 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.901 0.381 . . . . 0.0 111.069 -177.129 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -72.47 -53.03 13.29 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.869 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 7.7 ptmm? -76.96 -12.05 59.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.986 0.422 . . . . 0.0 111.234 -177.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 44.8 tp . . . . . 0 C--N 1.323 -0.584 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.018 179.699 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 . . . . . 0 C--O 1.24 0.567 0 CA-C-O 121.406 0.622 . . . . 0.0 109.673 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 396' ' ' ALA . . . . . 0.455 ' HA ' ' HB2' ' A' ' 399' ' ' LYS . . . -70.04 -9.55 55.72 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.319 175.333 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.93 -56.4 21.11 Favored Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 111.124 -0.791 . . . . 0.0 111.124 176.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.566 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -67.52 -32.63 57.91 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.565 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 177.46 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 399' ' ' LYS . . . . . 0.455 ' HB2' ' HA ' ' A' ' 396' ' ' ALA . 32.4 mmtp -59.27 -46.19 89.2 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.482 177.53 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -72.94 -41.87 64.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.048 0.452 . . . . 0.0 110.217 178.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 401' ' ' GLU . . . . . 0.598 ' HB3' HE21 ' A' ' 405' ' ' GLN . 30.2 mm-40 -60.02 -48.83 80.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.452 177.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 402' ' ' ILE . . . . . . . . . . . . . 13.2 tt -66.53 -34.89 73.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.705 -0.225 . . . . 0.0 110.836 -174.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.612 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 95.8 mtt180 -59.02 -49.72 76.84 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 174.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 404' ' ' ARG . . . . . 0.598 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 41.9 mtm-85 -69.47 -49.27 56.44 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.199 -178.366 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 405' ' ' GLN . . . . . 0.598 HE21 ' HB3' ' A' ' 401' ' ' GLU . 47.9 mt-30 -70.85 -33.39 70.59 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -172.759 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -82.01 -22.57 36.43 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 119.713 -0.795 . . . . 0.0 110.603 177.252 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.612 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.8 t80 -67.54 -51.79 46.56 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 176.283 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 408' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 404' ' ' ARG . 2.0 pp -71.95 -30.51 65.38 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.738 177.711 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 409' ' ' LEU . . . . . 0.573 ' HB2' ' O ' ' A' ' 405' ' ' GLN . 7.3 tt -58.53 -52.47 65.51 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 175.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -53.71 -43.83 69.34 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.856 177.574 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 411' ' ' SER . . . . . 0.645 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 20.9 m -64.73 -60.22 3.34 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.852 -179.476 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.719 HD11 ' HB3' ' A' ' 429' ' ' LEU . 4.4 pp -63.88 -24.2 67.65 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.057 0.456 . . . . 0.0 111.144 -177.605 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 413' ' ' HIS . . . . . 0.472 ' N ' HD12 ' A' ' 412' ' ' LEU . 12.6 t-80 -65.22 -41.35 94.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.773 176.375 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 414' ' ' ARG . . . . . 0.645 ' HG2' ' O ' ' A' ' 411' ' ' SER . 21.5 ptt180 -74.47 -21.07 59.76 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.158 -177.343 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -69.08 -15.41 63.44 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.317 173.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.649 HD21 ' HB2' ' A' ' 425' ' ' LYS . 93.3 mt . . . . . 0 C--N 1.329 -0.297 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -177.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 24.7 t70 . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.66 0.267 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 86.2 mt -117.57 1.13 12.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.19 175.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 1.9 m -69.65 -52.3 27.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.398 0.618 . . . . 0.0 109.888 -178.235 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 425' ' ' LYS . . . . . 0.649 ' HB2' HD21 ' A' ' 416' ' ' LEU . 12.8 mptt -66.61 -22.69 66.12 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.791 178.417 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 426' ' ' GLU . . . . . 0.645 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 39.4 tt0 -71.23 -46.63 60.67 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.43 -178.12 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -64.46 -28.88 69.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.208 0.528 . . . . 0.0 109.804 176.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -78.26 -39.8 39.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.816 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.719 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.3 pp -62.35 -36.94 83.79 Favored 'General case' 0 CA--C 1.513 -0.473 0 C-N-CA 120.171 -0.612 . . . . 0.0 109.559 175.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 430' ' ' TRP . . . . . 0.475 ' N ' HD12 ' A' ' 429' ' ' LEU . 5.1 t90 -72.48 -29.22 63.46 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.542 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.458 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 16.2 tt0 -70.21 -49.26 52.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.343 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.528 ' HB ' ' HB3' ' A' ' 405' ' ' GLN . 14.2 m -67.52 -30.13 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 C-N-CA 120.804 -0.359 . . . . 0.0 110.266 178.092 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -67.83 -49.84 59.99 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.323 178.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 434' ' ' ARG . . . . . 0.458 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 41.2 ptt180 -63.85 -23.04 67.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.812 -177.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 435' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 431' ' ' GLU . 84.2 mt -79.58 -55.15 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 121.215 -0.194 . . . . 0.0 111.099 175.712 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 436' ' ' LEU . . . . . . . . . . . . . 4.4 pp -64.05 -34.15 77.37 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.247 -177.542 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 437' ' ' THR . . . . . 0.558 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 91.2 m -76.21 -46.25 29.17 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 111.595 0.22 . . . . 0.0 111.595 179.433 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -64.44 -34.92 79.32 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.754 -177.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 439' ' ' LEU . . . . . 0.442 HD23 ' HB ' ' A' ' 398' ' ' ILE . 31.3 tp -69.16 -52.04 32.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.818 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 440' ' ' LYS . . . . . 0.566 ' HB3' HG13 ' A' ' 398' ' ' ILE . 64.9 pttt -61.03 -35.88 78.06 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 120.822 0.344 . . . . 0.0 110.728 -177.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 39.9 mmt180 -71.39 -53.34 14.41 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.955 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -74.5 -8.0 54.87 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -177.179 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 35.3 tp . . . . . 0 C--N 1.329 -0.292 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.275 179.068 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 395' ' ' GLN . . . . . 0.462 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 3.2 mm-40 . . . . . 0 CA--C 1.52 -0.191 0 CA-C-O 121.264 0.554 . . . . 0.0 109.521 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -65.43 -12.87 56.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.71 175.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.95 -62.3 5.84 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 111.236 -0.745 . . . . 0.0 111.236 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.521 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -69.13 -34.67 64.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.67 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.37 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 399' ' ' LYS . . . . . 0.605 ' O ' ' HG3' ' A' ' 403' ' ' ARG . 33.6 mmtp -58.0 -54.41 47.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.579 0.228 . . . . 0.0 111.236 -177.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -69.56 -42.28 74.78 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 120.809 0.338 . . . . 0.0 111.087 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 401' ' ' GLU . . . . . 0.546 ' HB3' HE21 ' A' ' 405' ' ' GLN . 33.8 mt-10 -62.52 -46.05 90.21 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.785 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 402' ' ' ILE . . . . . 0.455 HG22 ' O ' ' A' ' 399' ' ' LYS . 12.1 tt -64.17 -29.77 48.24 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.301 0 C-N-CA 121.346 -0.142 . . . . 0.0 110.838 -176.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.605 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 76.3 mtp180 -59.02 -48.25 82.28 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 174.231 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 404' ' ' ARG . . . . . 0.555 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 75.8 mtp180 -76.95 -38.45 53.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.913 -179.262 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 405' ' ' GLN . . . . . 0.546 HE21 ' HB3' ' A' ' 401' ' ' GLU . 73.3 mt-30 -64.86 -49.61 69.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.829 -0.169 . . . . 0.0 111.069 179.201 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -65.4 -28.75 69.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.874 0.369 . . . . 0.0 110.313 177.099 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.584 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.7 t80 -61.41 -58.62 7.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.527 176.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 408' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 404' ' ' ARG . 2.7 pp -72.06 -30.73 65.44 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.244 -178.086 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 409' ' ' LEU . . . . . 0.641 HD12 HG23 ' A' ' 432' ' ' VAL . 6.6 tt -60.22 -47.44 85.96 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 176.085 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 410' ' ' ASN . . . . . 0.434 ' O ' ' HG3' ' A' ' 414' ' ' ARG . 6.6 t30 -57.91 -46.82 84.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.244 177.532 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 18.6 m -60.82 -56.84 16.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.43 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.716 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 4.7 pp -66.24 -23.49 66.42 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.092 0.472 . . . . 0.0 110.656 -178.483 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -65.62 -32.35 73.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.738 174.017 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 414' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 410' ' ' ASN . 43.7 mtp180 -83.77 -17.58 40.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 178.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 415' ' ' ASP . . . . . 0.448 ' OD2' ' HA ' ' A' ' 412' ' ' LEU . 39.8 m-20 -73.96 -3.56 29.88 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.047 174.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 94.0 mt . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.59 -178.599 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 422' ' ' ASP . . . . . 0.596 ' CG ' ' HD3' ' A' ' 425' ' ' LYS . 9.9 t0 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 36.4 mt -92.22 -19.86 21.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.097 0.475 . . . . 0.0 110.584 -176.337 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 37.4 t -72.4 -39.28 68.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.116 -177.501 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 425' ' ' LYS . . . . . 0.716 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 11.9 mptt -62.35 -33.13 74.12 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.836 177.77 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 426' ' ' GLU . . . . . 0.526 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 47.5 mt-10 -65.95 -48.78 70.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.178 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -67.3 -25.42 66.02 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.3 176.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -77.25 -44.9 28.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.63 -175.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.686 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.0 pp -62.69 -38.59 90.97 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.591 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -75.84 -29.59 58.65 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.31 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.61 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 43.2 tt0 -63.08 -56.87 13.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.161 177.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.641 HG23 HD12 ' A' ' 409' ' ' LEU . 20.8 m -68.2 -31.18 50.56 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.831 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -61.84 -46.22 90.39 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 120.888 0.375 . . . . 0.0 110.027 178.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 434' ' ' ARG . . . . . 0.61 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 17.4 ptt180 -68.66 -25.97 65.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.407 -178.198 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 435' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 431' ' ' GLU . 85.0 mt -74.28 -58.3 5.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.469 176.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 436' ' ' LEU . . . . . 0.49 HD12 ' N ' ' A' ' 437' ' ' THR . 4.3 pp -60.37 -34.95 74.61 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 121.216 -0.193 . . . . 0.0 111.174 -178.303 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 437' ' ' THR . . . . . 0.802 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 90.8 m -69.26 -49.22 58.12 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.668 -0.242 . . . . 0.0 110.84 178.236 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 438' ' ' ALA . . . . . 0.588 ' O ' ' HG2' ' A' ' 442' ' ' LYS . . . -63.4 -43.4 97.65 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.391 179.56 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 23.3 tp -60.63 -51.84 67.67 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.429 -176.561 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 440' ' ' LYS . . . . . 0.802 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 62.6 pttt -62.02 -32.06 72.51 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.224 0.535 . . . . 0.0 110.726 -178.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 441' ' ' ARG . . . . . 0.587 ' HG3' ' O ' ' A' ' 437' ' ' THR . 36.4 mtm180 -74.57 -46.28 39.83 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.35 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 442' ' ' LYS . . . . . 0.588 ' HG2' ' O ' ' A' ' 438' ' ' ALA . 30.9 mmmt -69.23 -22.83 63.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 111.432 -178.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 89.2 mt . . . . . 0 C--N 1.325 -0.471 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -177.608 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -69.45 -19.89 63.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.252 175.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.32 -60.39 6.77 Favored Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.628 178.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.496 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -66.13 -33.89 66.58 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.856 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.413 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 399' ' ' LYS . . . . . 0.553 ' O ' ' HG3' ' A' ' 403' ' ' ARG . 3.5 mptp? -59.99 -44.44 94.5 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -178.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 400' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 403' ' ' ARG . 33.2 tt0 -71.25 -49.18 45.84 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.071 0.463 . . . . 0.0 110.431 177.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -62.84 -39.1 93.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.301 -177.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 402' ' ' ILE . . . . . 0.496 HD12 HD11 ' A' ' 398' ' ' ILE . 12.3 tt -70.69 -29.91 40.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 -179.519 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.581 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 97.8 mtt180 -56.1 -50.22 71.67 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 173.802 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 404' ' ' ARG . . . . . 0.502 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 38.3 mtp180 -74.37 -40.89 61.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.225 -178.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 405' ' ' GLN . . . . . 0.42 ' O ' ' HB2' ' A' ' 409' ' ' LEU . 44.7 mt-30 -61.87 -45.83 92.08 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.298 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 406' ' ' GLU . . . . . 0.446 ' HG3' HG12 ' A' ' 402' ' ' ILE . 43.9 mt-10 -75.31 -20.1 59.27 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.65 178.642 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.581 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.8 t80 -71.67 -49.89 35.59 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 176.195 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 408' ' ' LEU . . . . . 0.686 HD11 HG11 ' A' ' 432' ' ' VAL . 3.5 pp -71.84 -29.92 64.92 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 120.774 -0.371 . . . . 0.0 110.199 176.222 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 409' ' ' LEU . . . . . 0.471 ' N ' HD12 ' A' ' 408' ' ' LEU . 27.6 tp -59.76 -44.34 93.89 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 174.151 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -59.14 -54.24 49.19 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.804 176.537 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 411' ' ' SER . . . . . 0.463 ' OG ' ' HA ' ' A' ' 408' ' ' LEU . 12.1 p -64.81 -48.72 73.39 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.811 -175.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.975 HD11 ' HB3' ' A' ' 429' ' ' LEU . 3.9 pp -64.66 -27.8 69.18 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 121.066 -0.254 . . . . 0.0 111.285 -178.541 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -66.52 -35.97 81.55 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.011 0.434 . . . . 0.0 110.431 174.12 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -75.21 -19.99 59.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.842 178.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 415' ' ' ASP . . . . . 0.489 ' HB2' ' HD3' ' A' ' 425' ' ' LYS . 64.3 m-20 -82.46 -0.86 48.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.555 176.746 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 412' ' ' LEU . 39.5 mt . . . . . 0 C--N 1.322 -0.602 0 CA-C-O 120.977 0.417 . . . . 0.0 110.398 -178.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 15.6 t70 . . . . . 0 N--CA 1.455 -0.22 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 96.8 mt -108.12 -12.02 15.18 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.008 0.433 . . . . 0.0 110.667 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 12.8 t -70.16 -42.27 72.71 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.575 -177.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 425' ' ' LYS . . . . . 0.58 ' HA ' ' HB2' ' A' ' 428' ' ' ARG . 50.8 mttm -69.53 -24.02 63.67 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.389 179.288 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 426' ' ' GLU . . . . . 0.529 ' HA ' ' CD2' ' A' ' 429' ' ' LEU . 34.4 tt0 -70.36 -41.95 72.46 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 177.353 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -66.4 -31.8 72.78 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.972 172.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 428' ' ' ARG . . . . . 0.58 ' HB2' ' HA ' ' A' ' 425' ' ' LYS . 30.5 mmt180 -72.48 -43.29 63.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.409 -179.073 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.975 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.5 pp -64.97 -32.5 74.25 Favored 'General case' 0 CA--C 1.513 -0.475 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.284 -178.107 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 430' ' ' TRP . . . . . 0.407 ' N ' HD12 ' A' ' 429' ' ' LEU . 1.9 t90 -78.99 -29.89 44.06 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.249 177.158 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.559 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 40.1 tt0 -63.8 -59.7 4.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.172 178.741 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.686 HG11 HD11 ' A' ' 408' ' ' LEU . 24.0 m -65.29 -30.27 49.76 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.844 -179.275 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 433' ' ' GLN . . . . . 0.497 ' HB2' ' O ' ' A' ' 429' ' ' LEU . 47.7 tt0 -61.48 -51.76 67.33 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-O 121.18 0.514 . . . . 0.0 109.954 177.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 434' ' ' ARG . . . . . 0.559 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 38.5 ptt180 -69.44 -23.05 63.63 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.461 -177.146 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 435' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 431' ' ' GLU . 75.9 mt -79.15 -57.47 5.21 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.304 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.915 178.675 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 436' ' ' LEU . . . . . 0.45 HD12 ' N ' ' A' ' 437' ' ' THR . 4.6 pp -57.71 -33.77 68.75 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.745 0.307 . . . . 0.0 110.811 -179.156 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 437' ' ' THR . . . . . 0.45 ' N ' HD12 ' A' ' 436' ' ' LEU . 88.1 m -67.32 -60.12 2.85 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.776 177.811 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -64.16 -34.5 78.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.758 0.313 . . . . 0.0 111.074 -176.064 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 439' ' ' LEU . . . . . 0.477 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 21.9 tp -61.12 -56.78 16.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.995 -178.547 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 440' ' ' LYS . . . . . 0.464 ' HB3' HG13 ' A' ' 398' ' ' ILE . 18.8 pttp -64.54 -27.77 69.19 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.979 0.419 . . . . 0.0 110.88 -177.071 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 441' ' ' ARG . . . . . 0.408 ' HG2' ' O ' ' A' ' 437' ' ' THR . 29.1 mmm180 -71.99 -52.34 17.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.978 179.04 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -74.96 -8.43 56.47 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 -178.236 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 443' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 78.7 mt . . . . . 0 C--N 1.325 -0.489 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.796 179.171 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 . . . . . 0 C--O 1.234 0.279 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 396' ' ' ALA . . . . . 0.632 ' HA ' ' HB2' ' A' ' 399' ' ' LYS . . . -72.26 -4.68 31.02 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.91 176.453 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.93 -62.69 5.0 Favored Glycine 0 N--CA 1.443 -0.897 0 N-CA-C 110.794 -0.923 . . . . 0.0 110.794 177.402 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.607 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -68.02 -32.85 57.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 175.461 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 399' ' ' LYS . . . . . 0.807 ' HA ' ' HE2' ' A' ' 399' ' ' LYS . 0.0 OUTLIER -54.18 -45.71 72.18 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.446 -179.225 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -75.03 -46.7 33.16 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.077 0.465 . . . . 0.0 111.096 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -64.69 -33.04 75.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.087 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 402' ' ' ILE . . . . . 0.607 HD12 HD11 ' A' ' 398' ' ' ILE . 12.3 tt -73.22 -27.97 25.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 178.527 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.62 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 97.3 mtt180 -53.75 -52.46 60.11 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 170.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 404' ' ' ARG . . . . . 0.481 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 38.2 mmt180 -67.25 -49.11 65.65 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.762 -1.108 . . . . 0.0 111.047 -179.086 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 405' ' ' GLN . . . . . 0.492 ' O ' ' HB2' ' A' ' 409' ' ' LEU . 22.1 mt-30 -63.34 -37.68 88.19 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -175.125 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 406' ' ' GLU . . . . . 0.497 ' HA ' ' HB3' ' A' ' 409' ' ' LEU . 43.2 mt-10 -81.77 -23.42 36.63 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.673 177.667 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.56 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 4.3 t80 -63.38 -54.08 42.35 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 176.214 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 408' ' ' LEU . . . . . 0.62 HD11 HG11 ' A' ' 432' ' ' VAL . 3.1 pp -72.51 -25.65 61.48 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.862 177.208 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 409' ' ' LEU . . . . . 0.497 ' HB3' ' HA ' ' A' ' 406' ' ' GLU . 35.2 tp -61.4 -45.44 94.35 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 175.117 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -61.8 -43.47 98.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.089 174.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 411' ' ' SER . . . . . 0.432 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 30.7 m -63.37 -47.99 79.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.832 -177.641 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.874 ' HB2' ' HB3' ' A' ' 425' ' ' LYS . 3.8 pp -72.46 -23.66 61.09 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.539 -179.599 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 413' ' ' HIS . . . . . 0.505 ' N ' HD12 ' A' ' 412' ' ' LEU . 9.1 m170 -71.91 -44.7 63.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.943 0.401 . . . . 0.0 111.039 175.475 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 414' ' ' ARG . . . . . 0.432 ' HG2' ' O ' ' A' ' 411' ' ' SER . 25.5 ptt180 -72.31 -16.29 61.9 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.875 177.4 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -80.53 -26.05 38.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.703 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.789 HD21 ' HB2' ' A' ' 425' ' ' LYS . 38.2 mt . . . . . 0 C--N 1.327 -0.398 0 CA-C-O 121.286 0.565 . . . . 0.0 110.53 176.623 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 422' ' ' ASP . . . . . 0.644 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 8.9 t70 . . . . . 0 N--CA 1.451 -0.394 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 85.6 mt -97.02 -11.39 24.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.01 0.433 . . . . 0.0 111.01 -176.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 424' ' ' SER . . . . . 0.452 ' O ' ' HB2' ' A' ' 428' ' ' ARG . 36.5 t -73.24 -38.66 65.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.092 -0.503 . . . . 0.0 109.845 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 425' ' ' LYS . . . . . 0.874 ' HB3' ' HB2' ' A' ' 412' ' ' LEU . 12.7 mmtp -69.5 -28.5 66.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.511 178.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 426' ' ' GLU . . . . . 0.695 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 32.7 tt0 -69.01 -51.56 37.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.137 -177.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -67.44 -26.06 66.21 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.093 178.112 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 428' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' A' ' 424' ' ' SER . 10.4 ttm180 -77.23 -39.23 49.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.785 -177.381 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.706 ' HB3' ' CD1' ' A' ' 412' ' ' LEU . 4.5 pp -65.07 -37.71 88.42 Favored 'General case' 0 CA--C 1.511 -0.549 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.102 179.281 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 430' ' ' TRP . . . . . 0.428 ' N ' HD12 ' A' ' 429' ' ' LEU . 1.8 t90 -74.45 -29.34 61.44 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.034 178.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.634 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 41.0 tt0 -61.29 -56.65 18.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.038 177.204 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.62 HG11 HD11 ' A' ' 408' ' ' LEU . 24.0 m -71.17 -32.45 47.64 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.227 -179.418 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -62.12 -48.11 81.59 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 120.852 0.358 . . . . 0.0 110.039 179.506 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 434' ' ' ARG . . . . . 0.634 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 13.7 ptm180 -64.3 -34.03 77.2 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.248 -177.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 435' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 431' ' ' GLU . 78.9 mt -72.09 -53.49 19.74 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.978 179.206 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 436' ' ' LEU . . . . . 0.409 HD12 ' N ' ' A' ' 437' ' ' THR . 4.6 pp -59.93 -34.44 73.22 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.724 -178.059 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 437' ' ' THR . . . . . 0.409 ' N ' HD12 ' A' ' 436' ' ' LEU . 63.0 m -71.09 -58.63 3.38 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.57 179.251 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -58.22 -41.7 84.65 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 120.844 0.354 . . . . 0.0 110.913 -175.23 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 439' ' ' LEU . . . . . 0.448 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 37.5 tp -63.08 -55.98 20.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.099 -177.362 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 440' ' ' LYS . . . . . 0.507 ' HB3' HG13 ' A' ' 398' ' ' ILE . 18.4 pttp -66.16 -28.96 69.18 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.81 0.338 . . . . 0.0 111.33 -174.544 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -75.32 -43.28 51.67 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.617 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -17.36 61.7 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 121.152 -0.219 . . . . 0.0 111.539 179.413 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 443' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 78.9 mt . . . . . 0 C--N 1.327 -0.405 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.534 177.032 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 395' ' ' GLN . . . . . 0.432 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 15.0 mm100 . . . . . 0 N--CA 1.456 -0.164 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -65.13 -19.02 65.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.849 173.312 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 397' ' ' GLY . . . . . 0.435 ' O ' ' HG2' ' A' ' 401' ' ' GLU . . . -62.96 -58.18 12.96 Favored Glycine 0 N--CA 1.444 -0.826 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.49 177.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.403 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -66.7 -29.63 47.06 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.59 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -178.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 399' ' ' LYS . . . . . 0.561 ' O ' HG22 ' A' ' 402' ' ' ILE . 20.9 mmtp -63.79 -47.93 78.96 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.56 177.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -68.74 -42.59 77.38 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 121.036 0.446 . . . . 0.0 110.476 177.158 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 401' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 397' ' ' GLY . 7.8 mm-40 -59.1 -52.05 67.4 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.606 177.293 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 402' ' ' ILE . . . . . 0.776 HG13 HD13 ' A' ' 436' ' ' LEU . 10.5 tt -59.16 -30.3 43.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.619 -175.724 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.604 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 80.0 mtp180 -61.03 -57.28 13.28 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.691 -0.403 . . . . 0.0 110.299 175.758 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 404' ' ' ARG . . . . . 0.455 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 23.8 ptt180 -77.84 -22.17 50.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.865 -176.476 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 405' ' ' GLN . . . . . 0.514 ' CB ' HD11 ' A' ' 436' ' ' LEU . 16.1 mm100 -84.41 -44.7 13.46 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.408 0.151 . . . . 0.0 111.408 -179.448 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 406' ' ' GLU . . . . . 0.434 ' CG ' HG12 ' A' ' 402' ' ' ILE . 25.0 mm-40 -65.0 -25.94 68.07 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 172.754 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.604 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 0.9 OUTLIER -59.45 -58.43 8.65 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.73 -1.123 . . . . 0.0 109.959 176.687 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 408' ' ' LEU . . . . . 0.5 ' HA ' ' OG ' ' A' ' 411' ' ' SER . 2.0 pp -75.2 -25.41 58.18 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.319 -178.498 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 409' ' ' LEU . . . . . 0.524 ' O ' ' HB2' ' A' ' 413' ' ' HIS . 6.1 tt -60.18 -46.23 90.4 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 173.684 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -62.59 -49.0 76.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.014 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 411' ' ' SER . . . . . 0.5 ' OG ' ' HA ' ' A' ' 408' ' ' LEU . 30.0 p -63.74 -45.87 87.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.521 0.2 . . . . 0.0 111.374 -177.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.726 ' HB2' ' HD2' ' A' ' 425' ' ' LYS . 2.6 pp -69.49 -26.98 64.82 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.074 177.399 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 413' ' ' HIS . . . . . 0.524 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 3.3 t60 -71.15 -39.98 71.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.89 0.376 . . . . 0.0 110.535 176.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 414' ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' A' ' 411' ' ' SER . 11.6 ptm180 -77.48 -9.14 58.73 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.918 0.389 . . . . 0.0 110.144 178.763 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 415' ' ' ASP . . . . . 0.407 ' HB3' ' O ' ' A' ' 412' ' ' LEU . 30.6 t70 -66.84 -22.11 66.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.876 172.423 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.896 HD21 ' HB2' ' A' ' 425' ' ' LYS . 31.7 mt . . . . . 0 C--O 1.233 0.187 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.667 176.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 422' ' ' ASP . . . . . 0.461 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 9.9 t0 . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 7.4 mp -95.25 -16.68 22.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.286 0.565 . . . . 0.0 110.134 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 35.3 m -64.34 -39.68 94.37 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.125 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 425' ' ' LYS . . . . . 0.896 ' HB2' HD21 ' A' ' 416' ' ' LEU . 36.4 mmtm -61.97 -32.44 72.89 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.124 178.768 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 426' ' ' GLU . . . . . 0.462 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 41.2 mt-10 -66.03 -43.93 86.16 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.404 0.621 . . . . 0.0 109.653 -179.595 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -68.89 -32.52 72.22 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.953 176.047 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 428' ' ' ARG . . . . . 0.477 ' O ' HG12 ' A' ' 432' ' ' VAL . 32.6 mmt180 -74.19 -45.76 46.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.365 -177.397 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.644 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.2 pp -61.38 -33.58 73.9 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 178.798 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -76.1 -34.71 59.52 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 120.064 -0.655 . . . . 0.0 110.447 178.252 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.501 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 37.2 tt0 -59.57 -57.34 13.4 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.535 177.134 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.477 HG12 ' O ' ' A' ' 428' ' ' ARG . 4.1 p -63.15 -35.35 71.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.671 -179.628 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -65.0 -48.53 73.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.308 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 434' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 15.4 ptm180 -67.61 -30.43 70.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.956 -175.269 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 435' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 431' ' ' GLU . 88.4 mt -69.25 -53.48 25.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 177.585 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 436' ' ' LEU . . . . . 0.776 HD13 HG13 ' A' ' 402' ' ' ILE . 96.6 mt -57.56 -42.82 83.79 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.344 178.191 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 437' ' ' THR . . . . . 1.069 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 78.6 m -62.85 -57.97 9.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.909 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -58.74 -43.97 90.36 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 120.595 0.236 . . . . 0.0 111.152 -176.576 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 439' ' ' LEU . . . . . 0.601 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 53.9 tp -56.4 -61.38 2.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.381 -176.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 440' ' ' LYS . . . . . 1.069 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 46.9 pttt -58.68 -31.62 68.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.026 0.441 . . . . 0.0 111.322 -176.098 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 441' ' ' ARG . . . . . 0.562 ' HG2' ' O ' ' A' ' 437' ' ' THR . 24.2 mmt180 -70.44 -54.1 13.73 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.789 -179.6 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 442' ' ' LYS . . . . . 0.451 ' HE3' ' HA ' ' A' ' 439' ' ' LEU . 11.7 pttp -77.69 4.25 11.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.908 0.385 . . . . 0.0 111.301 -177.624 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 443' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 65.3 mt . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.627 170.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 395' ' ' GLN . . . . . 0.438 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 20.0 tp60 . . . . . 0 C--O 1.236 0.352 0 CA-C-O 121.244 0.545 . . . . 0.0 109.55 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 396' ' ' ALA . . . . . 0.442 ' HA ' ' HB2' ' A' ' 399' ' ' LYS . . . -67.76 -11.56 58.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.824 175.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.76 -59.53 9.57 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 177.352 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.558 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -68.45 -29.53 44.42 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.882 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 399' ' ' LYS . . . . . 0.442 ' HB2' ' HA ' ' A' ' 396' ' ' ALA . 33.6 mmtp -58.31 -48.67 79.76 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.352 -0.539 . . . . 0.0 111.09 178.19 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -69.57 -48.11 61.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.084 0.469 . . . . 0.0 110.603 177.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -62.81 -38.9 92.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.668 -177.559 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 402' ' ' ILE . . . . . 0.558 HD12 HD11 ' A' ' 398' ' ' ILE . 10.4 tt -68.35 -36.01 73.23 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.487 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 -179.262 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.681 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 86.9 mtt180 -59.6 -47.53 85.2 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.956 178.177 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -77.25 -25.72 51.81 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.484 -176.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 405' ' ' GLN . . . . . 0.544 ' O ' ' HB2' ' A' ' 409' ' ' LEU . 44.0 mt-30 -85.24 -38.35 19.01 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.159 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -67.74 -22.24 65.24 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 170.147 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.681 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 25.9 t80 -68.12 -57.08 6.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.197 -0.91 . . . . 0.0 111.17 -178.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 408' ' ' LEU . . . . . 0.635 HD21 HG11 ' A' ' 432' ' ' VAL . 1.9 pt? -76.65 -23.2 53.28 Favored 'General case' 0 C--O 1.22 -0.484 0 C-N-CA 119.82 -0.752 . . . . 0.0 109.686 -178.446 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 409' ' ' LEU . . . . . 0.544 ' HB2' ' O ' ' A' ' 405' ' ' GLN . 4.4 tt -63.68 -42.91 97.97 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 173.573 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 410' ' ' ASN . . . . . 0.467 ' HB3' ' O ' ' A' ' 407' ' ' PHE . 46.5 t30 -57.29 -48.58 78.56 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.065 172.556 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 20.1 t -63.09 -48.6 77.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.696 -178.496 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.972 ' HB2' ' HB3' ' A' ' 425' ' ' LYS . 4.5 pp -68.59 -24.72 64.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.165 -0.334 . . . . 0.0 111.49 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 413' ' ' HIS . . . . . 0.422 ' N ' HD12 ' A' ' 412' ' ' LEU . 0.3 OUTLIER -67.21 -44.09 80.44 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 176.338 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -71.77 -16.42 62.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.013 0.435 . . . . 0.0 110.518 175.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -80.24 -17.24 52.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.557 175.483 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.678 HD21 ' HB2' ' A' ' 425' ' ' LYS . 95.1 mt . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.321 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 422' ' ' ASP . . . . . 0.478 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 10.0 t70 . . . . . 0 CA--C 1.516 -0.357 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 86.5 mt -108.41 -6.39 16.23 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.507 0.67 . . . . 0.0 109.336 178.286 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 43.5 t -67.25 -47.17 71.52 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.345 -177.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 425' ' ' LYS . . . . . 0.972 ' HB3' ' HB2' ' A' ' 412' ' ' LEU . 30.3 mmtm -64.87 -23.84 67.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.927 0.394 . . . . 0.0 110.358 -178.782 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 426' ' ' GLU . . . . . 0.64 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 32.7 tt0 -71.39 -47.63 54.91 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.745 -177.719 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -64.74 -35.4 80.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.404 0.621 . . . . 0.0 109.579 176.085 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -73.36 -37.32 66.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.749 -175.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.867 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.5 pp -65.99 -35.0 79.38 Favored 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 177.203 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -71.77 -31.97 67.18 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.353 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.559 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 10.6 tp10 -66.56 -50.19 63.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.231 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.635 HG11 HD21 ' A' ' 408' ' ' LEU . 19.2 m -69.31 -31.92 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.571 178.334 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -63.74 -50.89 67.32 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.001 0.429 . . . . 0.0 110.043 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 434' ' ' ARG . . . . . 0.559 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 3.6 ptm180 -61.69 -34.17 75.29 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.39 -177.497 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 435' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 431' ' ' GLU . 82.5 mt -69.76 -58.65 4.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.692 -0.231 . . . . 0.0 111.475 178.285 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 436' ' ' LEU . . . . . 0.47 HD12 ' N ' ' A' ' 437' ' ' THR . 4.6 pp -60.98 -30.64 70.39 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.701 0.286 . . . . 0.0 111.255 -177.76 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 437' ' ' THR . . . . . 0.507 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 63.7 m -74.94 -54.5 7.11 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.101 178.556 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -63.44 -31.8 73.07 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.761 -176.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 45.3 tp -66.81 -59.39 3.58 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.863 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 440' ' ' LYS . . . . . 0.531 ' HB3' HG13 ' A' ' 398' ' ' ILE . 61.3 pttt -59.99 -33.54 72.11 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.784 0.326 . . . . 0.0 111.36 -175.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 441' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 441' ' ' ARG . 10.3 mmm180 -64.87 -64.64 0.82 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.434 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 442' ' ' LYS . . . . . 0.535 ' HD2' ' N ' ' A' ' 442' ' ' LYS . 3.2 mptp? -75.87 -5.91 48.28 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.551 -173.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 50.0 tp . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 121.144 0.497 . . . . 0.0 109.679 172.664 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 . . . . . 0 C--O 1.234 0.279 0 CA-C-O 121.095 0.474 . . . . 0.0 110.041 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 396' ' ' ALA . . . . . 0.551 ' HA ' ' HB3' ' A' ' 399' ' ' LYS . . . -70.05 -5.33 25.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.559 173.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -66.82 -64.98 2.99 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 177.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.567 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -64.56 -30.48 50.32 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 176.712 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 399' ' ' LYS . . . . . 0.63 ' O ' ' HG3' ' A' ' 403' ' ' ARG . 15.5 tppt? -56.2 -54.06 49.77 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.66 177.683 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -68.04 -46.07 72.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.261 0.553 . . . . 0.0 110.369 -178.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 401' ' ' GLU . . . . . 0.405 ' HB3' ' NE2' ' A' ' 405' ' ' GLN . 48.6 mt-10 -60.81 -44.27 97.08 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.978 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 402' ' ' ILE . . . . . 0.567 HD12 HD11 ' A' ' 398' ' ' ILE . 10.3 tt -65.59 -28.88 45.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 O-C-N 122.971 0.169 . . . . 0.0 111.062 -177.636 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.63 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 61.2 mtp180 -60.41 -51.96 67.27 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 175.002 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 404' ' ' ARG . . . . . 0.4 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 15.6 mmm180 -69.86 -40.08 75.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.815 179.604 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 405' ' ' GLN . . . . . 0.476 ' HB3' ' CG2' ' A' ' 432' ' ' VAL . 67.4 mt-30 -68.72 -49.99 54.35 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.447 -176.025 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 406' ' ' GLU . . . . . 0.457 ' HG2' HG12 ' A' ' 402' ' ' ILE . 11.1 mm-40 -63.25 -30.99 72.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.968 0.414 . . . . 0.0 109.916 176.016 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.588 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 1.4 t80 -62.27 -52.65 62.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.085 177.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 408' ' ' LEU . . . . . 0.59 HD12 ' N ' ' A' ' 409' ' ' LEU . 3.5 pp -73.82 -33.8 64.32 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.37 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 409' ' ' LEU . . . . . 0.691 ' O ' ' HB2' ' A' ' 413' ' ' HIS . 4.1 tt -59.53 -46.44 88.85 Favored 'General case' 0 C--O 1.225 -0.233 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 176.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.6 -48.98 79.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.557 177.102 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 411' ' ' SER . . . . . 0.518 ' OG ' ' HA ' ' A' ' 408' ' ' LEU . 9.7 p -67.07 -43.05 83.64 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -176.542 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.736 HD11 ' HB3' ' A' ' 429' ' ' LEU . 4.4 pp -72.8 -23.51 60.8 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 120.226 -0.59 . . . . 0.0 110.388 176.6 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 413' ' ' HIS . . . . . 0.691 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 3.2 t-160 -67.66 -30.63 70.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.389 0.614 . . . . 0.0 109.617 173.749 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -85.62 -14.87 44.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.377 175.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 415' ' ' ASP . . . . . 0.603 ' HB2' ' HA ' ' A' ' 412' ' ' LEU . 5.1 t70 -73.72 -19.91 60.67 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.111 178.6 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.755 HD21 ' HB2' ' A' ' 425' ' ' LYS . 48.9 mt . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.791 178.095 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 422' ' ' ASP . . . . . 0.587 ' OD2' ' HG2' ' A' ' 425' ' ' LYS . 26.2 t70 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 7.2 mp -93.59 -11.31 32.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.174 0.512 . . . . 0.0 110.128 -178.393 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 1.6 m -66.44 -51.82 52.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.581 -178.054 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 425' ' ' LYS . . . . . 0.755 ' HB2' HD21 ' A' ' 416' ' ' LEU . 69.7 mmtt -63.2 -25.74 68.48 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.207 -179.376 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 426' ' ' GLU . . . . . 0.553 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 50.6 mt-10 -66.33 -50.4 63.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.252 0.548 . . . . 0.0 110.011 179.348 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -66.37 -29.59 69.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.371 0.605 . . . . 0.0 109.948 176.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 428' ' ' ARG . . . . . 0.626 ' O ' HG12 ' A' ' 432' ' ' VAL . 15.5 mmt180 -75.89 -43.42 45.48 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.323 -176.758 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.736 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.5 pp -61.57 -32.45 72.54 Favored 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 178.708 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 430' ' ' TRP . . . . . 0.411 ' N ' HD12 ' A' ' 429' ' ' LEU . 2.9 t90 -77.13 -33.48 56.78 Favored 'General case' 0 N--CA 1.438 -1.045 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.57 178.273 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.439 ' O ' HG13 ' A' ' 435' ' ' ILE . 9.5 tp10 -64.11 -56.49 14.48 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -179.271 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.626 HG12 ' O ' ' A' ' 428' ' ' ARG . 2.6 p -60.57 -34.92 60.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.136 178.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -64.43 -50.99 65.4 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.592 -177.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 434' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -69.54 -27.76 65.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.104 -175.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 435' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 431' ' ' GLU . 79.5 mt -69.19 -55.22 16.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 121.296 -0.162 . . . . 0.0 111.135 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 436' ' ' LEU . . . . . 0.417 ' HB3' ' OE1' ' A' ' 405' ' ' GLN . 3.9 pp -61.66 -40.02 93.42 Favored 'General case' 0 C--O 1.225 -0.232 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 62.2 m -63.89 -49.11 73.97 Favored 'General case' 0 N--CA 1.455 -0.188 0 O-C-N 123.316 0.385 . . . . 0.0 111.027 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.13 -51.22 70.02 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.825 0.345 . . . . 0.0 110.408 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 50.0 tp -59.11 -53.97 52.27 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.626 -176.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 440' ' ' LYS . . . . . 0.505 ' HB3' HG13 ' A' ' 398' ' ' ILE . 21.6 ptmt -58.3 -36.56 73.51 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.137 0.494 . . . . 0.0 111.325 -175.646 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -72.4 -49.99 29.71 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.241 -177.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -77.79 -8.9 58.67 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.378 -178.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 53.1 tp . . . . . 0 C--N 1.325 -0.484 0 CA-C-O 120.637 0.256 . . . . 0.0 110.849 177.616 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 . . . . . 0 CA--C 1.522 -0.118 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -68.71 -16.78 63.92 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.245 175.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.77 -58.71 11.0 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 178.227 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.597 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -71.05 -32.63 48.76 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.627 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 177.002 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 399' ' ' LYS . . . . . 0.885 ' HA ' ' HE2' ' A' ' 399' ' ' LYS . 0.1 OUTLIER -56.59 -50.23 72.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.829 0.347 . . . . 0.0 110.88 -177.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -70.47 -46.25 64.16 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.177 0.513 . . . . 0.0 110.278 -178.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -65.76 -35.24 80.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.943 -177.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 402' ' ' ILE . . . . . 0.597 HD12 HD11 ' A' ' 398' ' ' ILE . 12.6 tt -70.5 -30.09 41.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 -179.422 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.628 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 77.9 mtp180 -60.94 -44.81 96.72 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 173.511 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 404' ' ' ARG . . . . . 0.487 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 63.6 mtt85 -68.34 -50.1 55.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.984 178.383 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 405' ' ' GLN . . . . . 0.556 ' O ' ' HB2' ' A' ' 409' ' ' LEU . 90.8 mt-30 -65.59 -39.59 91.75 Favored 'General case' 0 C--O 1.221 -0.447 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -175.517 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -77.12 -22.77 52.17 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 119.961 -0.696 . . . . 0.0 110.613 177.636 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.628 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 4.7 t80 -66.94 -52.91 37.27 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 176.177 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 408' ' ' LEU . . . . . 0.667 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.9 pp -71.54 -27.04 62.91 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.803 177.503 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 409' ' ' LEU . . . . . 0.556 ' HB2' ' O ' ' A' ' 405' ' ' GLN . 6.0 tt -61.78 -46.88 87.64 Favored 'General case' 0 C--O 1.223 -0.325 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 174.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -58.1 -41.51 83.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.615 176.132 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 411' ' ' SER . . . . . 0.592 ' O ' ' HG3' ' A' ' 414' ' ' ARG . 25.1 t -63.54 -59.82 4.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.687 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 3.5 pp -65.14 -23.75 67.22 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 122.054 -0.404 . . . . 0.0 111.032 -178.7 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 413' ' ' HIS . . . . . 0.5 ' N ' HD12 ' A' ' 412' ' ' LEU . 11.8 t-160 -63.01 -41.15 99.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.776 173.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 414' ' ' ARG . . . . . 0.592 ' HG3' ' O ' ' A' ' 411' ' ' SER . 5.5 ppt_? -81.87 -10.17 59.38 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.848 -177.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 415' ' ' ASP . . . . . 0.609 ' HB2' ' HG2' ' A' ' 425' ' ' LYS . 42.7 m-20 -78.53 -3.32 43.06 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.221 172.555 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--N 1.327 -0.397 0 CA-C-O 121.184 0.516 . . . . 0.0 110.386 176.009 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 422' ' ' ASP . . . . . 0.631 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 10.0 t70 . . . . . 0 C--O 1.233 0.222 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 7.0 mp -94.0 -27.75 16.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.036 0.446 . . . . 0.0 110.467 -176.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 424' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 428' ' ' ARG . 28.0 t -65.67 -50.16 65.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.709 -174.48 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 425' ' ' LYS . . . . . 0.687 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 10.1 mptt -64.1 -32.1 73.53 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.562 -176.201 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 426' ' ' GLU . . . . . 0.713 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 38.1 tt0 -78.84 -48.5 14.61 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.076 -174.235 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -63.96 -29.82 70.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.273 176.518 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 428' ' ' ARG . . . . . 0.538 ' HA ' ' HB3' ' A' ' 431' ' ' GLU . 70.8 mtt180 -85.26 -26.93 26.35 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -177.439 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.713 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 3.9 pp -63.95 -37.41 87.32 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 119.573 -0.851 . . . . 0.0 108.776 172.547 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -78.82 -30.27 45.23 Favored 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.2 177.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.538 ' HB3' ' HA ' ' A' ' 428' ' ' ARG . 37.0 tt0 -62.09 -55.54 27.93 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.564 178.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 19.9 m -68.22 -27.65 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.834 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 433' ' ' GLN . . . . . 0.407 ' HA ' ' HG ' ' A' ' 436' ' ' LEU . 35.7 tt0 -69.41 -44.0 72.28 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.613 179.23 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 434' ' ' ARG . . . . . 0.515 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 20.3 ptt180 -68.37 -26.76 65.74 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 178.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 435' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 431' ' ' GLU . 81.0 mt -73.21 -54.88 14.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.693 175.679 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 436' ' ' LEU . . . . . 0.591 HD12 ' N ' ' A' ' 437' ' ' THR . 4.3 pp -60.53 -33.86 73.26 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.776 0.322 . . . . 0.0 111.222 -178.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 437' ' ' THR . . . . . 0.68 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 98.1 m -74.06 -51.41 15.86 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.767 179.596 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -58.99 -43.03 91.38 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.837 0.351 . . . . 0.0 110.673 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 439' ' ' LEU . . . . . 0.474 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 39.7 tp -62.06 -53.13 59.83 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.874 -177.229 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 440' ' ' LYS . . . . . 0.68 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 62.3 pttt -62.44 -34.25 76.42 Favored 'General case' 0 CA--C 1.521 -0.165 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.031 -177.093 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 441' ' ' ARG . . . . . 0.553 ' HG2' ' O ' ' A' ' 437' ' ' THR . 31.0 mmm180 -67.29 -52.19 43.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.825 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 18.1 mttp -64.23 -20.11 65.82 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -178.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 443' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 78.9 mt . . . . . 0 C--N 1.327 -0.407 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -178.64 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 48.5 tp60 . . . . . 0 C--O 1.233 0.199 0 CA-C-O 121.109 0.481 . . . . 0.0 109.871 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -66.22 -17.01 64.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.619 174.236 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.47 -57.27 17.29 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.826 179.898 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.555 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -70.83 -36.27 63.73 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 178.631 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 399' ' ' LYS . . . . . 0.687 ' HA ' ' HE2' ' A' ' 399' ' ' LYS . 0.1 OUTLIER -56.43 -57.03 14.05 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -176.052 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -72.21 -36.92 69.31 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.976 0.417 . . . . 0.0 111.182 -178.272 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 401' ' ' GLU . . . . . 0.521 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 33.3 mm-40 -69.56 -37.42 77.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.725 179.935 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 402' ' ' ILE . . . . . 0.593 HG22 ' O ' ' A' ' 399' ' ' LYS . 13.7 tt -67.48 -28.87 43.6 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.374 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 -179.745 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.551 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 81.2 mtp180 -61.2 -45.78 93.18 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 171.928 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -64.89 -45.84 84.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.723 175.716 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 405' ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 48.1 mt-30 -61.77 -54.24 45.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.966 -178.298 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 406' ' ' GLU . . . . . 0.473 ' HG3' HG12 ' A' ' 402' ' ' ILE . 45.1 mt-10 -67.16 -22.04 65.78 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.785 0.326 . . . . 0.0 111.102 -178.433 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.551 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 4.3 t80 -64.1 -55.81 19.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.792 176.661 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 408' ' ' LEU . . . . . 0.52 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.3 pp -72.81 -28.4 62.54 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 178.096 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 409' ' ' LEU . . . . . 0.45 ' N ' HD12 ' A' ' 408' ' ' LEU . 6.9 tt -58.81 -53.18 61.29 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 176.417 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -58.71 -38.73 78.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.844 177.767 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 11.0 t -61.59 -61.63 2.38 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.825 179.803 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.601 ' HA ' ' OD2' ' A' ' 415' ' ' ASP . 4.3 pp -68.0 -21.42 65.04 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 120.896 0.379 . . . . 0.0 111.258 -177.854 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 18.3 t-160 -66.93 -32.85 74.38 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 174.21 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -86.37 -12.39 49.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.269 179.728 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 415' ' ' ASP . . . . . 0.601 ' OD2' ' HA ' ' A' ' 412' ' ' LEU . 7.2 m-20 -65.69 -20.83 66.44 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.74 0.305 . . . . 0.0 110.601 170.217 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 74.8 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.445 179.6 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 11.4 t70 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -103.64 -32.0 9.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.94 0.4 . . . . 0.0 110.617 -178.856 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 424' ' ' SER . . . . . 0.517 ' O ' ' HB2' ' A' ' 428' ' ' ARG . 33.1 t -68.63 -44.56 73.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.784 -175.574 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 425' ' ' LYS . . . . . 0.441 ' CG ' ' HB2' ' A' ' 412' ' ' LEU . 0.0 OUTLIER -65.16 -35.63 81.69 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.574 -177.689 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 426' ' ' GLU . . . . . 0.668 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 11.5 tp10 -64.52 -54.37 33.42 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.279 0.561 . . . . 0.0 110.073 -178.734 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -63.43 -26.29 68.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.582 176.839 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 428' ' ' ARG . . . . . 0.553 ' HA ' ' HE ' ' A' ' 428' ' ' ARG . 0.3 OUTLIER -74.29 -43.17 57.92 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.764 -177.381 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.668 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.5 pp -63.95 -34.87 78.95 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.398 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 430' ' ' TRP . . . . . 0.419 ' N ' HD12 ' A' ' 429' ' ' LEU . 2.7 t90 -74.32 -30.45 62.05 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 120.188 -0.605 . . . . 0.0 110.374 178.003 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.477 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 9.5 tp10 -61.57 -58.14 9.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.199 0.523 . . . . 0.0 109.901 176.529 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.41 ' CG2' ' HB3' ' A' ' 405' ' ' GLN . 7.7 p -63.8 -33.94 65.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.931 -179.594 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -64.21 -47.53 79.39 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-O 120.878 0.371 . . . . 0.0 110.609 179.811 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 434' ' ' ARG . . . . . 0.477 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 36.5 ptt180 -68.83 -24.9 64.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.03 -175.665 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 435' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 431' ' ' GLU . 80.5 mt -73.75 -56.35 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.516 0.198 . . . . 0.0 110.798 176.626 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 436' ' ' LEU . . . . . 0.495 HD12 ' N ' ' A' ' 437' ' ' THR . 4.3 pp -60.91 -33.27 72.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.022 -178.911 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 437' ' ' THR . . . . . 0.727 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 76.4 m -70.87 -50.62 33.13 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.621 0.248 . . . . 0.0 111.047 178.744 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.22 -41.32 96.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.842 0.353 . . . . 0.0 111.053 -177.476 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 439' ' ' LEU . . . . . 0.552 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 41.9 tp -63.64 -53.16 55.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.377 -177.091 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 440' ' ' LYS . . . . . 0.727 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 60.0 pttt -63.21 -30.11 71.32 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.084 0.469 . . . . 0.0 111.091 -177.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -73.27 -46.25 51.0 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.425 -179.303 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 442' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 439' ' ' LEU . 0.0 OUTLIER -73.8 -10.54 59.78 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.376 -0.53 . . . . 0.0 111.338 179.699 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 443' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 69.4 mt . . . . . 0 C--N 1.327 -0.374 0 CA-C-O 120.654 0.264 . . . . 0.0 111.203 176.043 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 395' ' ' GLN . . . . . 0.456 ' O ' ' HB2' ' A' ' 399' ' ' LYS . 10.8 mm100 . . . . . 0 CA--C 1.519 -0.219 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -65.56 -19.58 65.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.489 174.32 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.47 -56.17 21.26 Favored Glycine 0 N--CA 1.45 -0.394 0 N-CA-C 111.582 -0.607 . . . . 0.0 111.582 178.316 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.525 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -71.86 -32.52 44.83 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.716 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 175.451 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 399' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' A' ' 395' ' ' GLN . 7.3 tppt? -56.76 -48.57 77.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.676 0.274 . . . . 0.0 110.956 -178.911 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 400' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' A' ' 404' ' ' ARG . 39.7 tt0 -67.63 -45.24 75.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.848 0.356 . . . . 0.0 110.781 178.28 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -64.49 -43.91 92.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.0 -0.546 . . . . 0.0 112.03 -179.161 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 402' ' ' ILE . . . . . 0.525 HD12 HD11 ' A' ' 398' ' ' ILE . 13.8 tt -65.28 -30.67 50.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 -177.686 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.583 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 97.3 mtt180 -60.3 -51.55 69.07 Favored 'General case' 0 C--O 1.225 -0.205 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 172.252 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 404' ' ' ARG . . . . . 0.605 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 68.2 mtp180 -63.44 -50.45 69.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.556 -179.91 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 405' ' ' GLN . . . . . 0.45 ' O ' ' HB2' ' A' ' 409' ' ' LEU . 80.5 mt-30 -66.54 -43.74 84.31 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.284 -173.584 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -74.62 -24.43 58.85 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 119.832 -0.747 . . . . 0.0 110.581 178.429 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.583 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.6 t80 -66.74 -53.44 33.24 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 175.887 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 408' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' A' ' 404' ' ' ARG . 3.1 pp -70.55 -30.86 67.69 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.008 179.293 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 409' ' ' LEU . . . . . 0.534 HD12 HG23 ' A' ' 432' ' ' VAL . 7.3 tt -60.57 -50.02 75.21 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 175.713 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -58.6 -42.69 88.69 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.155 178.315 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 411' ' ' SER . . . . . 0.595 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 27.9 m -65.87 -53.91 33.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.129 -179.263 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.861 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 4.4 pp -66.05 -21.71 66.39 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.17 0.51 . . . . 0.0 110.548 -179.422 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 13.7 t-160 -65.79 -39.47 90.98 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.428 175.349 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 414' ' ' ARG . . . . . 0.595 ' HG2' ' O ' ' A' ' 411' ' ' SER . 17.7 ptt180 -76.67 -16.88 59.42 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.396 -0.521 . . . . 0.0 110.803 179.069 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 415' ' ' ASP . . . . . 0.583 ' OD2' ' HA ' ' A' ' 412' ' ' LEU . 64.2 m-20 -63.88 -25.86 68.35 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.575 0.226 . . . . 0.0 111.093 172.069 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.441 HD21 ' HB2' ' A' ' 425' ' ' LYS . 64.8 mt . . . . . 0 C--N 1.326 -0.421 0 CA-C-O 121.167 0.508 . . . . 0.0 110.986 -179.592 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 422' ' ' ASP . . . . . 0.485 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 11.6 t70 . . . . . 0 N--CA 1.455 -0.214 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 88.3 mt -98.09 -8.01 28.53 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.947 -179.793 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 36.9 t -73.96 -51.53 15.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.9 -177.808 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 425' ' ' LYS . . . . . 0.861 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 3.5 mptp? -58.54 -36.96 74.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.047 179.105 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 426' ' ' GLU . . . . . 0.652 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 8.7 tp10 -62.7 -53.72 50.14 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.283 -177.866 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -64.45 -26.2 68.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.837 177.956 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -78.06 -37.95 45.51 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.99 -177.835 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.84 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.2 pp -64.56 -39.29 93.48 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 120.32 -0.552 . . . . 0.0 109.663 177.686 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 430' ' ' TRP . . . . . 0.402 ' N ' HD12 ' A' ' 429' ' ' LEU . 2.0 t90 -76.58 -25.38 53.93 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 120.306 -0.558 . . . . 0.0 110.377 178.531 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.444 ' O ' HG13 ' A' ' 435' ' ' ILE . 38.7 tt0 -61.91 -61.94 2.14 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.978 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.534 HG23 HD12 ' A' ' 409' ' ' LEU . 34.7 m -66.95 -30.15 48.64 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.307 -178.047 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -62.58 -46.6 87.58 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 121.141 0.496 . . . . 0.0 110.355 -178.588 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 434' ' ' ARG . . . . . . . . . . . . . 40.4 ptt180 -77.13 -25.05 51.67 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.457 -178.889 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 435' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 431' ' ' GLU . 76.2 mt -68.89 -53.3 27.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.96 175.584 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 436' ' ' LEU . . . . . 0.523 HD22 HG13 ' A' ' 402' ' ' ILE . 4.5 pp -61.7 -30.32 70.67 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.753 0.311 . . . . 0.0 110.772 179.2 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 437' ' ' THR . . . . . 0.87 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 93.2 m -68.93 -56.74 6.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.778 176.487 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 438' ' ' ALA . . . . . 0.541 ' O ' ' HD2' ' A' ' 442' ' ' LYS . . . -61.67 -35.95 79.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.081 -179.386 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 31.3 tp -60.85 -53.04 62.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.024 -178.059 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 440' ' ' LYS . . . . . 0.87 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 53.2 pttt -62.84 -25.11 68.11 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.849 -0.341 . . . . 0.0 110.884 -179.572 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 441' ' ' ARG . . . . . 0.608 ' HA ' ' HE ' ' A' ' 441' ' ' ARG . 0.8 OUTLIER -63.05 -57.62 10.04 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.615 177.545 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 442' ' ' LYS . . . . . 0.541 ' HD2' ' O ' ' A' ' 438' ' ' ALA . 0.0 OUTLIER -75.91 -9.76 58.87 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.315 -0.554 . . . . 0.0 111.653 -177.231 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 74.0 mt . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.57 177.862 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 . . . . . 0 C--O 1.234 0.253 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -70.96 -14.78 62.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.796 175.35 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.82 -63.09 4.25 Favored Glycine 0 N--CA 1.442 -0.939 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.176 178.309 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.614 ' HB ' HD23 ' A' ' 439' ' ' LEU . 9.1 tp -66.77 -22.84 30.21 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.735 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 178.979 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 399' ' ' LYS . . . . . 0.544 ' O ' HG22 ' A' ' 402' ' ' ILE . 1.6 tppp? -59.51 -55.55 33.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.115 0.483 . . . . 0.0 110.431 175.234 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -73.49 -39.03 65.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.456 179.478 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 401' ' ' GLU . . . . . 0.489 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 46.3 mt-10 -62.83 -39.47 94.43 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.961 178.314 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 402' ' ' ILE . . . . . 0.546 ' HB ' ' O ' ' A' ' 398' ' ' ILE . 9.1 tt -68.93 -29.59 43.88 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.543 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 -178.356 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.59 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 74.3 mtp180 -58.71 -46.05 88.2 Favored 'General case' 0 C--O 1.228 -0.073 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 171.554 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 -67.67 -46.38 72.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.147 178.339 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 405' ' ' GLN . . . . . 0.489 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 45.4 mt-30 -67.13 -49.96 63.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.674 -176.977 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 406' ' ' GLU . . . . . 0.462 ' HG2' HG12 ' A' ' 402' ' ' ILE . 7.3 mm-40 -61.88 -29.18 70.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.897 0.379 . . . . 0.0 110.062 177.883 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.59 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 4.2 t80 -62.44 -54.23 43.25 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.113 179.386 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 408' ' ' LEU . . . . . 0.593 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.3 pp -77.35 -27.35 52.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.382 -179.33 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 409' ' ' LEU . . . . . 0.538 ' O ' ' HB2' ' A' ' 413' ' ' HIS . 5.0 tt -61.48 -45.08 95.75 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 175.339 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 410' ' ' ASN . . . . . 0.446 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 14.2 t-20 -59.4 -47.36 85.73 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.376 177.581 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 411' ' ' SER . . . . . 0.434 ' HA ' ' HG2' ' A' ' 414' ' ' ARG . 23.8 p -65.85 -48.76 70.52 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -177.049 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.739 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 4.4 pp -69.1 -20.66 64.07 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 119.892 -0.723 . . . . 0.0 110.973 177.056 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 413' ' ' HIS . . . . . 0.538 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 1.8 t60 -73.76 -42.12 61.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.218 176.046 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 414' ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' A' ' 410' ' ' ASN . 13.6 ptm180 -76.69 -8.86 58.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.842 0.353 . . . . 0.0 111.104 179.59 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -67.45 -21.79 65.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.997 169.859 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 54.6 mt . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.774 -178.631 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 422' ' ' ASP . . . . . 0.767 ' HB3' ' HB2' ' A' ' 425' ' ' LYS . 2.6 m-20 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.597 0.236 . . . . 0.0 110.548 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -81.59 -29.75 33.21 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 176.328 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 424' ' ' SER . . . . . 0.549 ' O ' ' HG2' ' A' ' 428' ' ' ARG . 70.9 m -70.13 -18.54 63.23 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.021 178.266 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 425' ' ' LYS . . . . . 0.767 ' HB2' ' HB3' ' A' ' 422' ' ' ASP . 0.9 OUTLIER -64.08 -33.33 75.51 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.243 0.544 . . . . 0.0 109.923 174.27 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 426' ' ' GLU . . . . . 0.661 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 44.5 tt0 -75.25 -39.12 60.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.467 178.577 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 427' ' ' GLU . . . . . 0.451 ' OE2' ' HA ' ' A' ' 424' ' ' SER . 34.6 mt-10 -60.25 -31.38 70.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.817 172.815 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 428' ' ' ARG . . . . . 0.549 ' HG2' ' O ' ' A' ' 424' ' ' SER . 12.3 mmm180 -74.07 -45.44 49.37 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.278 -178.271 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.661 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.3 pp -60.8 -31.81 71.19 Favored 'General case' 0 C--O 1.224 -0.26 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.319 179.248 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -72.05 -37.11 69.75 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 120.743 0.306 . . . . 0.0 110.989 179.805 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 5.5 tp10 -62.63 -54.54 38.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.451 0.643 . . . . 0.0 109.548 179.721 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 8.2 p -66.72 -32.84 59.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.982 -179.378 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 433' ' ' GLN . . . . . 0.551 ' HB2' ' O ' ' A' ' 429' ' ' LEU . 5.2 tp-100 -59.43 -50.8 72.54 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.399 0.619 . . . . 0.0 109.966 179.216 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 434' ' ' ARG . . . . . 0.493 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 4.5 ptm180 -64.59 -33.61 76.32 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.666 -174.809 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 435' ' ' ILE . . . . . . . . . . . . . 83.5 mt -68.4 -56.06 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.019 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 436' ' ' LEU . . . . . 0.489 HD12 ' N ' ' A' ' 437' ' ' THR . 4.5 pp -64.1 -34.21 77.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.811 -177.848 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 437' ' ' THR . . . . . 0.489 ' N ' HD12 ' A' ' 436' ' ' LEU . 84.0 m -67.29 -48.32 68.0 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.695 -0.23 . . . . 0.0 110.737 178.313 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.94 -43.38 98.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.805 0.336 . . . . 0.0 111.075 -178.072 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 439' ' ' LEU . . . . . 0.614 HD23 ' HB ' ' A' ' 398' ' ' ILE . 36.4 tp -72.32 -50.23 28.47 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.48 -175.776 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 440' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 436' ' ' LEU . 62.1 pttt -66.9 -28.19 68.11 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.651 -173.689 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 -82.36 -38.5 24.09 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.57 0.224 . . . . 0.0 111.088 -179.496 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -73.58 -27.64 61.42 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.797 177.565 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 443' ' ' LEU . . . . . 0.508 ' HB2' ' O ' ' A' ' 439' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.991 -179.886 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 . . . . . 0 N--CA 1.455 -0.214 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 396' ' ' ALA . . . . . 0.416 ' HA ' ' HB2' ' A' ' 399' ' ' LYS . . . -70.63 -16.38 62.82 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.237 172.283 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.23 -55.03 28.45 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.7 176.875 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.577 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -67.32 -33.88 65.47 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.846 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.007 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 399' ' ' LYS . . . . . 0.64 ' O ' ' HG3' ' A' ' 403' ' ' ARG . 0.2 OUTLIER -58.86 -44.52 91.05 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.294 178.568 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -63.82 -57.1 10.92 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-O 121.195 0.521 . . . . 0.0 110.102 175.27 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 401' ' ' GLU . . . . . 0.453 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 47.6 mt-10 -55.95 -49.27 73.99 Favored 'General case' 0 C--O 1.213 -0.839 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.919 -178.208 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 402' ' ' ILE . . . . . 0.577 HD12 HD11 ' A' ' 398' ' ' ILE . 12.2 tt -60.08 -33.99 55.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -173.755 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.64 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 69.8 mtm180 -59.77 -47.68 84.7 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 120.269 -0.572 . . . . 0.0 109.457 174.619 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -77.93 -30.61 50.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.281 -178.43 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 405' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 98.5 mt-30 -71.78 -46.79 57.18 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.553 179.355 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -69.96 -22.78 63.13 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.534 -0.466 . . . . 0.0 109.916 176.333 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.517 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.9 t80 -63.69 -54.23 38.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.446 174.353 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 408' ' ' LEU . . . . . 0.502 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.3 pp -71.08 -31.17 67.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.057 177.683 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 409' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 408' ' ' LEU . 6.5 tt -59.14 -50.94 72.13 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 175.795 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 410' ' ' ASN . . . . . 0.486 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 8.4 t30 -61.4 -41.69 97.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.242 177.184 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 39.9 t -57.97 -58.15 9.68 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.062 179.116 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.629 ' O ' ' HB2' ' A' ' 415' ' ' ASP . 4.5 pp -69.52 -18.73 63.7 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.988 -179.813 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -75.03 -32.92 61.69 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 173.877 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 414' ' ' ARG . . . . . 0.486 ' HG2' ' O ' ' A' ' 410' ' ' ASN . 36.3 mmt180 -63.35 -30.72 71.8 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.292 176.525 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 415' ' ' ASP . . . . . 0.629 ' HB2' ' O ' ' A' ' 412' ' ' LEU . 0.4 OUTLIER -45.03 -47.39 11.64 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.955 174.501 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.496 HD22 ' HB2' ' A' ' 425' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--N 1.323 -0.544 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.336 -174.84 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 422' ' ' ASP . . . . . 0.46 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 9.9 t0 . . . . . 0 C--O 1.233 0.196 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 92.1 mt -85.92 -20.0 29.66 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.165 -176.795 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 16.1 t -67.06 -46.89 72.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.51 -177.932 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 425' ' ' LYS . . . . . 0.496 ' HB2' HD22 ' A' ' 416' ' ' LEU . 15.9 mmtm -71.81 -28.18 63.42 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.805 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 426' ' ' GLU . . . . . 0.647 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 34.9 tt0 -66.48 -49.22 67.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.383 -178.526 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.32 -24.14 62.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.151 0.5 . . . . 0.0 110.035 177.649 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -76.68 -44.95 31.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.428 -178.685 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.2 pp -59.99 -34.2 73.0 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.084 0.469 . . . . 0.0 109.751 177.267 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -72.53 -29.47 63.62 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.181 179.806 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.63 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 37.3 tt0 -77.09 -44.41 30.66 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.864 179.627 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.442 HG12 ' HA ' ' A' ' 429' ' ' LEU . 10.8 p -68.63 -28.82 41.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 C-N-CA 120.327 -0.549 . . . . 0.0 109.925 177.425 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -67.38 -45.74 75.36 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.362 178.471 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 434' ' ' ARG . . . . . 0.63 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 35.8 ptt180 -63.98 -32.37 73.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.566 -177.945 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 435' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 431' ' ' GLU . 73.9 mt -66.82 -55.42 18.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.739 -0.21 . . . . 0.0 111.14 178.623 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 436' ' ' LEU . . . . . 0.42 HD12 ' N ' ' A' ' 437' ' ' THR . 4.5 pp -62.38 -32.02 72.77 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.786 0.327 . . . . 0.0 110.67 -179.008 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 437' ' ' THR . . . . . 0.805 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 70.6 m -68.79 -56.25 8.62 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.362 178.052 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -62.34 -42.27 99.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.077 -176.967 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 439' ' ' LEU . . . . . 0.517 ' O ' ' HB2' ' A' ' 443' ' ' LEU . 38.3 tp -57.33 -57.5 12.36 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.388 -178.494 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 440' ' ' LYS . . . . . 0.805 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 59.3 pttt -61.17 -35.8 78.09 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.83 0.348 . . . . 0.0 111.569 -175.044 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 441' ' ' ARG . . . . . 0.486 ' HG2' ' O ' ' A' ' 437' ' ' THR . 10.4 mmm180 -74.05 -50.02 21.55 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -177.684 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -75.01 -9.65 58.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.312 -178.375 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 443' ' ' LEU . . . . . 0.517 ' HB2' ' O ' ' A' ' 439' ' ' LEU . 9.5 tp . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 121.167 0.508 . . . . 0.0 110.599 177.682 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 . . . . . 0 C--O 1.238 0.486 0 CA-C-O 121.411 0.624 . . . . 0.0 109.607 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -69.44 -16.29 63.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.421 176.347 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.7 -60.27 7.59 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.655 178.899 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.546 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -63.15 -36.78 77.36 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.665 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.449 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 399' ' ' LYS . . . . . 0.641 ' O ' ' HG3' ' A' ' 403' ' ' ARG . 0.9 OUTLIER -58.64 -50.47 73.74 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 120.886 -0.326 . . . . 0.0 111.687 -179.404 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -69.35 -47.83 63.15 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-O 121.1 0.476 . . . . 0.0 110.448 179.777 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 401' ' ' GLU . . . . . 0.444 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 48.7 mt-10 -60.14 -44.34 95.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.962 -179.085 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 402' ' ' ILE . . . . . 0.546 HD12 HD11 ' A' ' 398' ' ' ILE . 12.1 tt -66.37 -30.35 49.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.87 -176.664 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.641 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 76.9 mtt180 -56.47 -51.04 69.94 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 173.739 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 404' ' ' ARG . . . . . 0.442 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 13.3 mmt180 -75.24 -39.57 59.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.764 -176.568 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 405' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 89.4 mt-30 -68.07 -43.09 79.41 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -178.351 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 406' ' ' GLU . . . . . 0.504 ' HA ' ' HB3' ' A' ' 409' ' ' LEU . 73.1 mt-10 -76.65 -19.18 58.06 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.162 176.911 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.584 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 4.3 t80 -63.72 -59.03 5.1 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 173.114 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 408' ' ' LEU . . . . . 0.727 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.0 pp -68.35 -28.43 67.12 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.676 179.052 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 409' ' ' LEU . . . . . 0.504 ' HB3' ' HA ' ' A' ' 406' ' ' GLU . 51.7 tp -60.17 -44.72 94.8 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 174.718 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -66.46 -35.66 80.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.318 176.845 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 47.3 m -63.68 -58.07 8.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.795 177.644 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.727 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 2.0 pp -71.25 -11.16 60.77 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 -177.141 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 413' ' ' HIS . . . . . 0.469 ' CD2' HD22 ' A' ' 429' ' ' LEU . 7.1 m170 -78.73 -30.94 46.12 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.069 0.461 . . . . 0.0 109.879 171.355 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 -82.97 -7.65 59.64 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.167 0.508 . . . . 0.0 110.028 173.051 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 415' ' ' ASP . . . . . 0.455 ' HB3' ' HD3' ' A' ' 425' ' ' LYS . 84.9 m-20 -83.01 -4.8 58.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.284 169.957 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 412' ' ' LEU . 97.6 mt . . . . . 0 C--N 1.328 -0.364 0 CA-C-O 120.798 0.332 . . . . 0.0 111.004 -177.535 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 C--O 1.233 0.206 0 CA-C-O 121.333 0.587 . . . . 0.0 111.484 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 423' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 423' ' ' LEU . 4.2 mm? -81.44 -17.13 49.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.63 -179.87 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 14.1 t -61.7 -42.46 98.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.101 0.477 . . . . 0.0 110.116 177.753 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 425' ' ' LYS . . . . . 0.455 ' HD3' ' HB3' ' A' ' 415' ' ' ASP . 54.1 mttm -70.41 -29.61 66.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.49 178.4 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 426' ' ' GLU . . . . . 0.683 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 9.6 tp10 -65.38 -53.14 47.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.245 -178.093 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -66.22 -29.83 70.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.437 177.822 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -70.68 -44.44 66.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.674 -177.409 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.683 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 3.9 pp -63.26 -37.92 89.14 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.465 -178.579 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -70.04 -34.73 73.62 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.788 -178.624 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.617 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 5.5 tp10 -62.21 -51.81 66.3 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.398 0.618 . . . . 0.0 109.935 178.539 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.416 HG21 HD11 ' A' ' 408' ' ' LEU . 14.7 p -69.83 -34.17 59.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.572 -179.442 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -64.3 -48.77 74.38 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.018 179.617 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 434' ' ' ARG . . . . . 0.617 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 7.4 ptm180 -60.4 -36.65 78.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.41 -175.626 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 435' ' ' ILE . . . . . . . . . . . . . 86.7 mt -67.71 -57.56 9.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.312 179.412 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 436' ' ' LEU . . . . . 0.488 ' HB2' HG13 ' A' ' 402' ' ' ILE . 4.3 pp -59.98 -34.35 73.19 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 121.154 -0.218 . . . . 0.0 110.616 -178.169 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 437' ' ' THR . . . . . 0.737 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 77.3 m -71.87 -54.93 8.55 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.202 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -65.26 -35.93 82.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.714 0.292 . . . . 0.0 111.1 -174.695 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 439' ' ' LEU . . . . . 0.536 HD23 ' HB ' ' A' ' 398' ' ' ILE . 31.9 tp -66.42 -52.92 41.55 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.411 -178.352 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 440' ' ' LYS . . . . . 0.737 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 59.9 pttt -64.66 -29.74 70.74 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 120.576 -0.449 . . . . 0.0 111.098 -176.376 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 441' ' ' ARG . . . . . 0.537 ' HG2' ' O ' ' A' ' 437' ' ' THR . 38.6 mmt180 -73.51 -46.0 50.49 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.413 179.6 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -75.97 -12.87 60.22 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.84 0.352 . . . . 0.0 111.3 -179.133 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 22.9 tp . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.988 -179.459 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 395' ' ' GLN . . . . . 0.629 ' O ' ' HD3' ' A' ' 399' ' ' LYS . 30.3 mm-40 . . . . . 0 N--CA 1.448 -0.539 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -62.68 -25.26 68.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.689 173.727 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.58 -60.1 7.42 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.194 -0.912 . . . . 0.0 112.237 179.376 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.519 ' HB ' HD23 ' A' ' 439' ' ' LEU . 0.0 OUTLIER -64.73 -32.88 59.9 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.578 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 -177.271 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 399' ' ' LYS . . . . . 0.629 ' HD3' ' O ' ' A' ' 395' ' ' GLN . 2.1 mptm? -62.42 -49.4 75.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.075 0.464 . . . . 0.0 110.783 179.032 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -67.96 -47.0 69.83 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-O 121.454 0.645 . . . . 0.0 110.106 179.02 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -62.36 -46.08 90.26 Favored 'General case' 0 C--O 1.214 -0.798 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.053 -179.69 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 402' ' ' ILE . . . . . 0.827 HG13 HD13 ' A' ' 436' ' ' LEU . 11.6 tt -58.82 -28.34 37.5 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.336 0 CA-C-N 117.837 0.29 . . . . 0.0 110.42 -178.379 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.624 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 18.9 mtp180 -60.36 -57.25 13.58 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.548 -0.461 . . . . 0.0 109.829 173.235 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 404' ' ' ARG . . . . . 0.461 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 31.7 ptt180 -75.18 -21.22 58.89 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.605 -178.056 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 405' ' ' GLN . . . . . 0.522 ' HG3' HD21 ' A' ' 436' ' ' LEU . 11.6 mm100 -79.04 -53.12 7.33 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.729 -0.214 . . . . 0.0 111.043 -179.948 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 406' ' ' GLU . . . . . 0.436 ' O ' ' HB3' ' A' ' 410' ' ' ASN . 8.7 mm-40 -61.56 -24.93 66.99 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 175.087 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.624 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 7.0 t80 -60.56 -59.12 5.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.733 -1.122 . . . . 0.0 110.348 175.924 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 408' ' ' LEU . . . . . 0.531 HD12 ' N ' ' A' ' 409' ' ' LEU . 2.4 pp -75.49 -28.69 59.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.936 -179.086 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 409' ' ' LEU . . . . . 0.531 ' N ' HD12 ' A' ' 408' ' ' LEU . 7.4 tt -61.87 -48.64 79.61 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 176.997 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 410' ' ' ASN . . . . . 0.493 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 0.0 OUTLIER -61.86 -39.24 91.2 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 177.952 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 35.4 t -60.95 -58.9 6.48 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.565 179.825 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.721 ' HB2' ' HE3' ' A' ' 425' ' ' LYS . 4.4 pp -67.92 -19.85 65.03 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.044 -178.779 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 413' ' ' HIS . . . . . 0.42 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 2.1 t60 -74.13 -28.64 61.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.067 0.46 . . . . 0.0 109.974 175.438 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 414' ' ' ARG . . . . . 0.493 ' HG2' ' O ' ' A' ' 410' ' ' ASN . 13.5 mmt180 -71.23 -29.83 65.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.98 175.584 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 415' ' ' ASP . . . . . 0.45 ' CB ' ' HE2' ' A' ' 425' ' ' LYS . 34.6 m-20 -68.83 4.08 1.65 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.849 178.461 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.617 HD21 ' HB2' ' A' ' 425' ' ' LYS . 83.8 mt . . . . . 0 C--N 1.319 -0.729 0 CA-C-O 120.891 0.377 . . . . 0.0 110.702 176.972 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 11.2 t70 . . . . . 0 CA--C 1.521 -0.154 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.8 mp -113.04 -12.39 13.21 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.312 -177.625 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 424' ' ' SER . . . . . 0.42 ' O ' ' HB2' ' A' ' 428' ' ' ARG . 42.7 m -86.95 -31.87 20.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.608 0.242 . . . . 0.0 110.933 -174.256 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 425' ' ' LYS . . . . . 0.721 ' HE3' ' HB2' ' A' ' 412' ' ' LEU . 21.6 mmmt -70.12 -29.91 66.97 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.758 -0.831 . . . . 0.0 108.758 175.102 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 426' ' ' GLU . . . . . 0.643 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 0.5 OUTLIER -66.97 -50.88 60.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.258 179.194 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -60.82 -29.89 69.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.587 175.684 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 428' ' ' ARG . . . . . 0.447 ' O ' HG23 ' A' ' 432' ' ' VAL . 34.9 ttm-85 -74.34 -46.76 38.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.727 -174.913 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.689 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.1 pp -61.83 -33.15 73.62 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 120.796 0.332 . . . . 0.0 110.307 178.605 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -68.44 -36.49 79.1 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 120.699 -0.401 . . . . 0.0 110.203 -179.371 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.63 ' HA ' ' HG2' ' A' ' 434' ' ' ARG . 26.2 tt0 -67.77 -43.65 79.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.048 176.593 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 428' ' ' ARG . 58.2 t -57.48 -45.62 85.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.893 0.377 . . . . 0.0 110.002 176.76 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -64.28 -49.94 69.88 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.776 -179.267 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 434' ' ' ARG . . . . . 0.63 ' HG2' ' HA ' ' A' ' 431' ' ' GLU . 18.6 ptt180 -63.12 -33.2 74.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.196 -175.46 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 435' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 431' ' ' GLU . 68.2 mt -68.03 -48.06 76.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.831 176.703 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 436' ' ' LEU . . . . . 0.827 HD13 HG13 ' A' ' 402' ' ' ILE . 96.0 mt -58.7 -45.76 88.78 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 120.72 0.295 . . . . 0.0 110.594 178.95 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 437' ' ' THR . . . . . 0.655 ' O ' ' HG2' ' A' ' 441' ' ' ARG . 53.9 m -58.63 -62.71 1.66 Allowed 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.583 176.714 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 438' ' ' ALA . . . . . 0.602 ' O ' ' HD3' ' A' ' 442' ' ' LYS . . . -60.04 -32.61 71.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.588 -174.111 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 439' ' ' LEU . . . . . 0.519 HD23 ' HB ' ' A' ' 398' ' ' ILE . 25.1 tp -63.08 -61.75 2.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.743 -176.297 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 440' ' ' LYS . . . . . 0.455 ' HB3' HG21 ' A' ' 398' ' ' ILE . 60.5 pttt -65.25 -37.85 88.49 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -173.295 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 441' ' ' ARG . . . . . 0.655 ' HG2' ' O ' ' A' ' 437' ' ' THR . 13.7 mmm180 -59.4 -52.9 63.64 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.956 0.408 . . . . 0.0 110.675 -177.977 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 442' ' ' LYS . . . . . 0.602 ' HD3' ' O ' ' A' ' 438' ' ' ALA . 3.8 mptp? -76.36 -36.61 58.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.076 -177.516 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 443' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 439' ' ' LEU . 11.1 mp . . . . . 0 C--N 1.326 -0.428 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -175.923 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 . . . . . 0 C--O 1.235 0.339 0 CA-C-O 121.329 0.585 . . . . 0.0 109.526 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -63.5 -17.29 62.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.879 174.68 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.5 -57.41 13.0 Favored Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.654 179.632 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.732 HD13 HD23 ' A' ' 439' ' ' LEU . 6.2 tp -69.86 -22.0 24.5 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.503 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 178.299 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 399' ' ' LYS . . . . . 0.44 ' HD3' ' HA ' ' A' ' 399' ' ' LYS . 15.8 tppt? -58.77 -58.42 8.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.605 0.24 . . . . 0.0 110.619 174.495 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -69.98 -38.48 76.06 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 120.986 0.422 . . . . 0.0 110.974 -179.946 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 401' ' ' GLU . . . . . 0.577 ' HB2' ' HA ' ' A' ' 398' ' ' ILE . 59.4 mm-40 -55.61 -49.27 73.25 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.212 174.438 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 402' ' ' ILE . . . . . 0.721 ' HB ' ' O ' ' A' ' 398' ' ' ILE . 0.3 OUTLIER -61.89 -30.26 48.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.371 -176.535 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.572 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 57.6 mtt180 -57.77 -53.44 58.13 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 174.122 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 34.5 mtm105 -70.68 -43.24 69.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.497 -179.273 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 405' ' ' GLN . . . . . 0.461 ' NE2' ' HB3' ' A' ' 401' ' ' GLU . 75.5 mt-30 -65.81 -45.17 83.34 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -178.275 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 406' ' ' GLU . . . . . 0.442 ' HG3' HG12 ' A' ' 402' ' ' ILE . 36.3 mt-10 -75.44 -18.4 59.9 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.627 178.49 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.572 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 4.5 t80 -65.31 -55.74 16.56 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 174.818 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 408' ' ' LEU . . . . . 0.566 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.8 pp -71.68 -29.09 64.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.769 178.132 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 409' ' ' LEU . . . . . 0.576 ' HA ' HD12 ' A' ' 412' ' ' LEU . 6.4 tt -60.53 -46.9 88.45 Favored 'General case' 0 CA--C 1.523 -0.086 0 N-CA-C 109.03 -0.729 . . . . 0.0 109.03 175.431 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -58.45 -39.94 81.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.952 178.444 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 20.8 m -59.86 -45.97 90.77 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 120.797 0.332 . . . . 0.0 111.204 177.508 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.583 ' HB2' ' HB3' ' A' ' 429' ' ' LEU . 9.3 mt -64.96 -44.97 87.66 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-O 121.985 0.898 . . . . 0.0 109.834 177.037 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -62.89 -38.1 89.57 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.127 -1.397 . . . . 0.0 111.207 -177.304 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 414' ' ' ARG . . . . . 0.492 ' NE ' ' HA ' ' A' ' 414' ' ' ARG . 3.4 mmp_? -82.81 -19.12 38.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.343 -179.468 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -58.56 -41.74 86.33 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.354 0.597 . . . . 0.0 109.89 177.005 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 19.6 mt . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.761 -179.741 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 422' ' ' ASP . . . . . 0.5 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 16.3 t0 . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 423' ' ' LEU . . . . . 0.409 HD22 ' N ' ' A' ' 423' ' ' LEU . 2.7 mm? -99.76 -13.15 19.4 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.226 0.536 . . . . 0.0 110.168 -177.186 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 32.7 t -75.37 -39.9 58.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.112 -176.8 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 425' ' ' LYS . . . . . 0.5 ' HG2' ' OD1' ' A' ' 422' ' ' ASP . 22.9 mmtp -62.89 -33.75 75.96 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.296 178.385 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 426' ' ' GLU . . . . . 0.56 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 0.7 OUTLIER -67.57 -52.93 32.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.822 -176.547 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -62.4 -30.11 70.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.788 177.571 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -77.59 -49.12 15.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.423 -176.289 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.583 ' HB3' ' HB2' ' A' ' 412' ' ' LEU . 4.2 pp -58.63 -34.99 71.8 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.559 176.107 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -74.44 -33.74 63.02 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 120.454 -0.499 . . . . 0.0 111.108 179.47 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.625 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 41.5 tt0 -60.97 -54.49 44.29 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.104 0.478 . . . . 0.0 110.128 178.347 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.497 HG21 HD11 ' A' ' 408' ' ' LEU . 11.9 p -67.49 -33.03 59.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.703 179.397 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -62.95 -47.19 84.29 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.177 179.066 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 434' ' ' ARG . . . . . 0.625 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 4.9 ptm180 -66.33 -28.36 68.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.658 -175.234 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 435' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 431' ' ' GLU . 68.5 mt -70.32 -57.8 7.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.051 176.517 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 436' ' ' LEU . . . . . 0.618 ' HB2' HG13 ' A' ' 402' ' ' ILE . 4.5 pp -60.6 -31.14 70.32 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.098 -179.817 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 437' ' ' THR . . . . . 0.688 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 98.0 m -68.58 -56.48 8.14 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 176.82 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.2 -35.78 78.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.224 -176.427 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 439' ' ' LEU . . . . . 0.732 HD23 HD13 ' A' ' 398' ' ' ILE . 42.9 tp -68.62 -54.35 16.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.018 -177.507 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 440' ' ' LYS . . . . . 0.688 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 56.9 pttt -61.3 -32.52 72.37 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.863 0.363 . . . . 0.0 110.75 -177.311 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 441' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 437' ' ' THR . 42.4 mmt180 -68.13 -61.61 1.78 Allowed 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.38 177.797 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 442' ' ' LYS . . . . . 0.401 ' HD2' ' N ' ' A' ' 442' ' ' LYS . 0.4 OUTLIER -76.43 9.12 2.85 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -176.594 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 443' ' ' LEU . . . . . 0.629 ' HB2' ' O ' ' A' ' 439' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.323 -0.563 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 172.479 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 395' ' ' GLN . . . . . 0.615 ' O ' ' HD3' ' A' ' 399' ' ' LYS . 2.1 mm-40 . . . . . 0 N--CA 1.45 -0.445 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -61.32 -28.3 69.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.685 173.757 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.9 -58.26 13.69 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.063 -0.971 . . . . 0.0 112.256 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.777 HD13 HD23 ' A' ' 439' ' ' LEU . 10.7 tp -69.8 -21.29 24.1 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 C-N-CA 120.626 -0.429 . . . . 0.0 110.605 -176.534 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 399' ' ' LYS . . . . . 0.615 ' HD3' ' O ' ' A' ' 395' ' ' GLN . 1.2 mptm? -67.82 -48.35 66.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.491 0.186 . . . . 0.0 111.013 178.457 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -62.39 -50.27 72.22 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 121.625 0.726 . . . . 0.0 109.912 176.237 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -58.77 -53.07 62.47 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 114.75 -1.113 . . . . 0.0 111.091 -178.996 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 402' ' ' ILE . . . . . 0.655 HG13 HD13 ' A' ' 436' ' ' LEU . 13.6 tt -60.26 -31.01 47.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -173.495 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.623 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 99.2 mtt180 -59.34 -55.36 35.77 Favored 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 120.46 -0.496 . . . . 0.0 109.895 174.003 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 404' ' ' ARG . . . . . 0.618 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 20.3 mtm180 -70.25 -38.09 75.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.075 -179.094 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 405' ' ' GLN . . . . . 0.442 ' HB2' ' HA ' ' A' ' 402' ' ' ILE . 23.8 mm-40 -64.09 -52.69 58.04 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.473 -177.741 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -71.45 -19.89 62.17 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.512 179.537 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.623 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.4 t80 -67.18 -55.73 12.88 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 174.898 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 408' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' A' ' 404' ' ' ARG . 2.7 pp -72.06 -27.86 62.96 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.079 178.777 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 409' ' ' LEU . . . . . 0.5 ' O ' ' HB2' ' A' ' 413' ' ' HIS . 7.1 tt -61.2 -49.85 75.5 Favored 'General case' 0 C--O 1.223 -0.294 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 175.402 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -61.52 -34.51 75.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.476 177.704 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 411' ' ' SER . . . . . 0.574 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 40.4 t -67.0 -57.56 6.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.818 178.171 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.82 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 4.5 pp -67.24 -19.82 65.58 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.817 -179.08 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 413' ' ' HIS . . . . . 0.5 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 15.0 t-160 -69.02 -40.59 78.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.475 175.396 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 414' ' ' ARG . . . . . 0.574 ' HG2' ' O ' ' A' ' 411' ' ' SER . 9.4 ptp85 -75.48 -14.42 60.43 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-O 121.167 0.508 . . . . 0.0 109.812 178.676 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -75.63 -3.7 35.94 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.647 176.716 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 94.6 mt . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.466 179.915 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 13.5 t70 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.9 mp -103.25 -29.63 11.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.783 0.325 . . . . 0.0 110.543 -178.506 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 424' ' ' SER . . . . . 0.506 ' O ' ' HG2' ' A' ' 428' ' ' ARG . 67.5 p -64.52 -48.37 75.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.462 -174.396 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 425' ' ' LYS . . . . . 0.82 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 0.5 OUTLIER -60.92 -27.07 67.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.004 0.43 . . . . 0.0 111.479 -177.17 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 426' ' ' GLU . . . . . 0.61 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 33.4 tt0 -72.28 -49.23 36.4 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.315 0.579 . . . . 0.0 109.786 -179.057 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -63.47 -33.03 74.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.672 176.46 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 428' ' ' ARG . . . . . 0.523 ' O ' HG23 ' A' ' 432' ' ' VAL . 25.8 mmt180 -74.54 -39.1 62.53 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.304 -175.81 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 3.6 pp -62.62 -37.84 87.87 Favored 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 120.182 -0.607 . . . . 0.0 109.593 177.362 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -73.12 -34.17 65.97 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 120.536 -0.466 . . . . 0.0 109.758 179.478 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -61.03 -47.76 84.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.844 175.162 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.527 ' O ' ' HG ' ' A' ' 436' ' ' LEU . 89.9 t -60.44 -48.66 87.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.414 176.03 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -62.41 -43.38 98.96 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.165 -176.538 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 434' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -68.5 -34.39 75.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.75 -176.17 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 435' ' ' ILE . . . . . . . . . . . . . 70.9 mt -71.22 -46.62 64.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 178.186 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 436' ' ' LEU . . . . . 0.655 HD13 HG13 ' A' ' 402' ' ' ILE . 98.1 mt -54.33 -55.73 25.5 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.276 175.821 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 29.8 m -58.38 -55.57 33.34 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.514 -177.799 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -56.29 -47.68 78.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.63 0.252 . . . . 0.0 111.247 -176.256 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 439' ' ' LEU . . . . . 0.777 HD23 HD13 ' A' ' 398' ' ' ILE . 36.0 tp -64.99 -56.87 10.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.343 -176.828 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 440' ' ' LYS . . . . . 0.567 ' HB3' HG12 ' A' ' 398' ' ' ILE . 21.6 ptmt -60.61 -34.05 73.65 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.967 0.413 . . . . 0.0 111.639 -174.341 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 441' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 441' ' ' ARG . 15.2 mmt180 -71.64 -45.96 60.46 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.398 -177.173 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -66.85 -21.48 66.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 0.0 111.294 176.144 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 443' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 94.0 mt . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.651 -179.173 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -62.53 -22.35 66.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.206 172.041 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.03 -63.53 4.85 Favored Glycine 0 N--CA 1.443 -0.887 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.289 178.065 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.479 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -71.82 -32.75 45.84 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.598 0 CA-C-N 115.688 -0.256 . . . . 0.0 110.62 -179.135 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.15 -43.36 99.0 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.874 -178.219 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 400' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 404' ' ' ARG . 37.4 tt0 -72.49 -44.7 61.91 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.341 177.122 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -61.62 -46.31 90.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.727 -179.183 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 402' ' ' ILE . . . . . . . . . . . . . 14.4 tt -65.16 -33.99 67.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 C-N-CA 122.056 0.143 . . . . 0.0 110.783 -177.16 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.597 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 61.9 mtp180 -60.87 -46.72 89.5 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 120.657 -0.417 . . . . 0.0 109.891 175.908 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 404' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 400' ' ' GLU . 55.1 mtt180 -71.61 -41.13 69.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.39 -179.711 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 405' ' ' GLN . . . . . 0.439 ' HB3' ' HB ' ' A' ' 432' ' ' VAL . 74.3 mt-30 -69.42 -45.2 69.73 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.71 -176.904 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 406' ' ' GLU . . . . . 0.542 ' HA ' ' HB3' ' A' ' 409' ' ' LEU . 53.2 mt-10 -73.0 -20.98 60.91 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.504 -0.479 . . . . 0.0 110.533 178.175 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.597 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.5 t80 -66.74 -53.11 36.79 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 174.858 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 408' ' ' LEU . . . . . 0.78 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.6 pp -71.45 -30.06 65.59 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.681 176.888 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 409' ' ' LEU . . . . . 0.621 ' HA ' HD12 ' A' ' 412' ' ' LEU . 3.2 tm? -56.91 -45.16 82.83 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 174.921 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -59.6 -42.94 93.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.077 175.294 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 22.7 t -60.92 -54.88 39.63 Favored 'General case' 0 C--O 1.218 -0.569 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.806 178.952 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.78 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 10.6 mt -51.63 -40.44 59.93 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 121.478 0.656 . . . . 0.0 110.512 -178.948 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -64.3 -29.97 71.04 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.698 178.653 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -86.48 -28.04 23.69 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.961 0.41 . . . . 0.0 110.434 175.093 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 415' ' ' ASP . . . . . 0.408 ' HB2' ' HA ' ' A' ' 412' ' ' LEU . 1.8 m-20 -69.03 -13.86 62.7 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.251 177.796 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.521 HD21 ' HB2' ' A' ' 425' ' ' LYS . 95.6 mt . . . . . 0 C--N 1.323 -0.554 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.718 -179.24 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 422' ' ' ASP . . . . . 0.601 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 14.5 t70 . . . . . 0 N--CA 1.456 -0.141 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.9 mp -94.68 -27.72 15.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.846 0.355 . . . . 0.0 110.95 -175.135 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 424' ' ' SER . . . . . 0.439 ' O ' ' HG2' ' A' ' 428' ' ' ARG . 22.7 t -68.17 -47.63 67.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.913 -179.122 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 425' ' ' LYS . . . . . 0.601 ' HG2' ' OD1' ' A' ' 422' ' ' ASP . 48.0 mmtt -56.82 -34.97 68.26 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.333 0.587 . . . . 0.0 110.253 -179.784 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 426' ' ' GLU . . . . . 0.7 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 7.2 tp10 -70.48 -51.33 29.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.096 -175.92 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -65.06 -29.61 70.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.414 178.598 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 428' ' ' ARG . . . . . 0.439 ' HG2' ' O ' ' A' ' 424' ' ' SER . 18.3 mmt180 -76.67 -41.26 46.27 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.517 -177.816 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.7 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.3 pp -61.24 -34.62 75.44 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.695 177.399 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -80.82 -25.3 37.87 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.609 178.446 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.48 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 9.4 tp10 -62.03 -57.31 12.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.089 177.904 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.707 HG11 HD11 ' A' ' 408' ' ' LEU . 31.9 m -69.95 -32.85 53.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 C-N-CA 121.12 -0.232 . . . . 0.0 111.077 -178.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -61.37 -43.43 98.88 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.93 0.395 . . . . 0.0 110.43 -179.195 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 434' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 29.1 ptt180 -72.21 -31.6 66.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.532 -179.731 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 435' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 431' ' ' GLU . 83.0 mt -70.79 -56.96 8.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.733 -0.212 . . . . 0.0 111.354 179.137 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 436' ' ' LEU . . . . . . . . . . . . . 4.5 pp -59.01 -32.7 69.95 Favored 'General case' 0 N--CA 1.461 0.082 0 C-N-CA 121.248 -0.181 . . . . 0.0 110.907 -177.034 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 437' ' ' THR . . . . . 0.778 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 41.6 m -74.75 -52.06 12.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.259 179.488 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 438' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 442' ' ' LYS . . . -61.42 -38.43 87.1 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.779 0.323 . . . . 0.0 110.561 -178.406 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 439' ' ' LEU . . . . . 0.687 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 29.9 tp -62.94 -61.17 2.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.047 -179.496 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 440' ' ' LYS . . . . . 0.778 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 58.1 pttt -59.62 -34.67 73.07 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.089 0.471 . . . . 0.0 111.725 -175.202 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -76.34 -39.86 52.83 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.524 -177.56 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 442' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 438' ' ' ALA . 13.1 mptt -79.39 -11.74 59.92 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.314 179.424 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 443' ' ' LEU . . . . . 0.687 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 71.3 mt . . . . . 0 C--N 1.326 -0.449 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.059 177.325 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 395' ' ' GLN . . . . . 0.516 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 22.9 tp60 . . . . . 0 C--O 1.234 0.28 0 CA-C-O 121.031 0.443 . . . . 0.0 109.957 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -66.36 -17.96 65.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.85 177.91 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -58.03 -56.6 24.29 Favored Glycine 0 N--CA 1.451 -0.363 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 -179.582 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.59 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -71.3 -36.07 60.2 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.861 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 177.854 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 399' ' ' LYS . . . . . 0.516 ' HG2' ' O ' ' A' ' 395' ' ' GLN . 24.8 mmtp -60.06 -46.6 89.02 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.853 -175.33 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -69.89 -44.45 69.72 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 120.857 0.361 . . . . 0.0 110.766 179.438 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -67.34 -38.67 85.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.911 -179.466 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 402' ' ' ILE . . . . . 0.59 HD12 HD11 ' A' ' 398' ' ' ILE . 14.8 tt -67.32 -33.49 63.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 -177.637 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.579 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 72.6 mtp180 -60.83 -43.33 98.39 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 175.024 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 404' ' ' ARG . . . . . 0.497 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 91.7 mtt180 -67.55 -50.17 59.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.587 176.179 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 405' ' ' GLN . . . . . 0.558 ' O ' ' HB2' ' A' ' 409' ' ' LEU . 76.3 mt-30 -63.03 -43.82 97.66 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.358 -175.639 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 406' ' ' GLU . . . . . 0.429 ' HG3' HG12 ' A' ' 402' ' ' ILE . 49.8 mt-10 -73.01 -27.49 61.81 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.875 178.993 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.579 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.5 t80 -66.29 -51.82 53.57 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 177.815 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 408' ' ' LEU . . . . . 0.669 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.2 pp -71.61 -30.24 65.57 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.453 176.947 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 409' ' ' LEU . . . . . 0.558 ' HB2' ' O ' ' A' ' 405' ' ' GLN . 6.0 tt -57.21 -54.27 48.65 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 108.706 -0.849 . . . . 0.0 108.706 175.019 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -52.05 -43.12 63.62 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.484 0.49 . . . . 0.0 110.859 177.864 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 19.3 m -62.85 -57.34 11.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.197 -178.338 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.669 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 3.7 pp -74.94 -16.11 60.66 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 121.068 0.461 . . . . 0.0 111.181 -178.095 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 413' ' ' HIS . . . . . 0.471 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 2.4 t60 -72.42 -37.91 68.51 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 174.448 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -87.98 -5.79 58.34 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.023 179.44 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 415' ' ' ASP . . . . . 0.557 ' HB2' ' HA ' ' A' ' 412' ' ' LEU . 4.8 t70 -65.55 -25.41 67.42 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.646 0.736 . . . . 0.0 109.968 174.435 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 34.5 mt . . . . . 0 C--N 1.32 -0.706 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.186 178.3 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 422' ' ' ASP . . . . . 0.518 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 9.9 t0 . . . . . 0 N--CA 1.455 -0.216 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.5 mp -95.76 -22.57 17.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.117 -176.72 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 24.8 m -66.93 -35.67 80.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.382 -178.646 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 425' ' ' LYS . . . . . 0.555 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 0.2 OUTLIER -69.52 -28.83 66.37 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.648 177.09 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 426' ' ' GLU . . . . . 0.671 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 44.2 mt-10 -70.32 -52.43 22.76 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.254 0.549 . . . . 0.0 110.119 179.464 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -66.95 -20.3 65.87 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.513 -179.614 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 -82.37 -42.91 18.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.597 -179.306 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.671 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.3 pp -61.96 -36.11 80.46 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.967 0.413 . . . . 0.0 110.087 179.035 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 4.1 t90 -77.55 -31.24 53.16 Favored 'General case' 0 N--CA 1.438 -1.046 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.139 179.425 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.546 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 33.3 tt0 -64.77 -49.98 68.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.733 -179.605 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.428 HG23 HD12 ' A' ' 409' ' ' LEU . 16.1 m -69.89 -28.46 36.8 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.578 178.801 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -70.59 -48.03 57.28 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.755 0.312 . . . . 0.0 110.408 179.508 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 434' ' ' ARG . . . . . 0.546 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 35.1 ptt180 -61.77 -31.58 71.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.111 -178.445 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 435' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 431' ' ' GLU . 79.1 mt -72.91 -53.28 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.991 177.366 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 436' ' ' LEU . . . . . 0.436 HD12 ' N ' ' A' ' 437' ' ' THR . 4.6 pp -61.48 -32.49 72.51 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.823 0.344 . . . . 0.0 110.819 -177.615 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 437' ' ' THR . . . . . 0.504 ' O ' ' HG2' ' A' ' 441' ' ' ARG . 58.4 m -68.63 -57.71 5.33 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.872 178.389 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -63.84 -36.42 83.86 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.729 0.3 . . . . 0.0 111.239 -176.224 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 439' ' ' LEU . . . . . 0.459 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 43.2 tp -60.71 -54.75 41.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.959 -178.734 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 440' ' ' LYS . . . . . 0.491 ' HB3' HG13 ' A' ' 398' ' ' ILE . 18.1 pttp -64.37 -27.5 69.05 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.869 0.366 . . . . 0.0 111.056 -177.098 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 441' ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' A' ' 437' ' ' THR . 28.4 mmm180 -65.91 -51.55 57.65 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.486 177.436 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -72.41 -10.97 60.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.667 0.27 . . . . 0.0 111.654 -179.398 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 443' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 74.8 mt . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.684 178.797 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 395' ' ' GLN . . . . . 0.63 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 19.6 mm-40 . . . . . 0 CA--C 1.52 -0.188 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 . . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -64.5 -22.1 66.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.166 174.277 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.37 -59.24 10.25 Favored Glycine 0 N--CA 1.445 -0.748 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.652 -179.715 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.522 ' HB ' HD23 ' A' ' 439' ' ' LEU . 0.0 OUTLIER -67.06 -34.58 70.69 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.745 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 -177.588 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 399' ' ' LYS . . . . . 0.63 ' HG2' ' O ' ' A' ' 395' ' ' GLN . 33.9 mmtp -58.31 -53.32 59.61 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.308 -178.839 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 400' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 403' ' ' ARG . 28.6 tt0 -68.77 -44.76 73.03 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-O 121.502 0.668 . . . . 0.0 110.25 -179.045 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 401' ' ' GLU . . . . . 0.64 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 41.9 mt-10 -62.36 -45.77 91.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.215 179.499 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 402' ' ' ILE . . . . . 0.521 HD12 HD11 ' A' ' 398' ' ' ILE . 13.3 tt -65.4 -35.06 74.42 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.451 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -172.981 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.611 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 17.4 ptm180 -64.02 -39.24 93.65 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 119.231 -0.988 . . . . 0.0 109.777 176.83 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 -70.62 -38.9 73.99 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.239 174.545 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 405' ' ' GLN . . . . . 0.64 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 46.0 mt-30 -66.21 -54.59 23.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.448 179.701 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 406' ' ' GLU . . . . . 0.401 ' HG2' HG12 ' A' ' 402' ' ' ILE . 5.8 mm-40 -61.29 -28.45 69.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.776 0.322 . . . . 0.0 110.137 179.307 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.611 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 4.8 t80 -63.08 -53.49 52.87 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.098 178.493 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 408' ' ' LEU . . . . . 0.557 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.0 pp -73.22 -31.46 64.17 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 178.868 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 409' ' ' LEU . . . . . 0.49 ' N ' HD12 ' A' ' 408' ' ' LEU . 5.6 tt -60.23 -48.59 81.09 Favored 'General case' 0 C--O 1.223 -0.342 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 177.427 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -55.43 -45.3 76.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.891 174.427 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 411' ' ' SER . . . . . 0.424 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 40.5 m -63.21 -52.92 60.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.309 -177.38 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.755 ' HB2' ' HB3' ' A' ' 425' ' ' LYS . 4.1 pp -71.47 -23.32 61.8 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.129 -179.845 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 413' ' ' HIS . . . . . 0.447 ' N ' HD12 ' A' ' 412' ' ' LEU . 11.8 t-160 -65.75 -40.69 92.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.769 0.318 . . . . 0.0 110.748 176.993 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 414' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 411' ' ' SER . 15.1 ptm180 -82.44 -16.66 48.09 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.083 -179.918 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -67.69 -21.25 65.33 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.12 175.302 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.529 HD21 ' HB2' ' A' ' 425' ' ' LYS . 45.8 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.834 177.056 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 422' ' ' ASP . . . . . 0.467 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 11.8 t70 . . . . . 0 CA--C 1.519 -0.249 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 . . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.3 mp -119.4 -7.71 10.16 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.527 0.68 . . . . 0.0 109.94 177.416 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 4.7 t -73.23 -40.77 64.42 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.862 -174.453 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 425' ' ' LYS . . . . . 0.755 ' HB3' ' HB2' ' A' ' 412' ' ' LEU . 21.0 mmtm -69.6 -23.44 63.52 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -179.541 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 426' ' ' GLU . . . . . 0.62 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 30.3 tt0 -72.53 -42.14 65.07 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 -178.57 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -64.05 -28.52 69.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.833 173.37 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 35.0 mmt180 -76.23 -43.98 39.65 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.336 -179.873 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.62 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.3 pp -62.48 -33.02 74.03 Favored 'General case' 0 CA--C 1.513 -0.451 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.608 -179.261 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 430' ' ' TRP . . . . . 0.404 ' N ' HD12 ' A' ' 429' ' ' LEU . 3.9 t90 -76.43 -34.13 58.77 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 120.037 -0.665 . . . . 0.0 110.262 179.149 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.655 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 43.6 tt0 -62.79 -53.73 49.76 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.224 178.498 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.401 HG13 HD12 ' A' ' 409' ' ' LEU . 9.0 p -66.48 -34.24 68.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.84 179.668 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -62.85 -48.92 76.97 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 120.925 0.393 . . . . 0.0 110.306 178.681 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 434' ' ' ARG . . . . . 0.655 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 11.5 ptm180 -64.21 -29.52 70.62 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.592 -175.037 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 435' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 431' ' ' GLU . 73.8 mt -71.15 -56.99 8.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.161 177.757 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 436' ' ' LEU . . . . . 0.465 HD12 ' N ' ' A' ' 437' ' ' THR . 4.3 pp -60.99 -35.79 77.76 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 120.638 0.256 . . . . 0.0 111.12 -177.937 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 437' ' ' THR . . . . . 0.465 ' N ' HD12 ' A' ' 436' ' ' LEU . 56.5 m -69.41 -52.57 25.61 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.159 178.951 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -65.05 -32.09 73.63 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 120.762 0.315 . . . . 0.0 110.773 -176.373 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 439' ' ' LEU . . . . . 0.522 HD23 ' HB ' ' A' ' 398' ' ' ILE . 33.3 tp -65.69 -60.66 2.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.806 -177.226 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 440' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -62.35 -36.77 83.27 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.673 -175.734 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -70.25 -42.14 72.56 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.139 -177.7 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -69.5 -38.15 77.51 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 121.029 -0.268 . . . . 0.0 110.931 177.707 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 443' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 56.6 mt . . . . . 0 C--N 1.326 -0.455 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -177.03 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 395' ' ' GLN . . . . . 0.661 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 28.3 mm-40 . . . . . 0 CA--C 1.518 -0.28 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -62.24 -23.39 66.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.169 175.299 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 397' ' ' GLY . . . . . 0.484 ' O ' ' HB2' ' A' ' 401' ' ' GLU . . . -61.1 -58.4 13.76 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.663 176.691 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.941 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -71.07 -33.63 52.15 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.379 0 O-C-N 123.452 0.148 . . . . 0.0 110.664 -179.278 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 399' ' ' LYS . . . . . 0.661 ' HG2' ' O ' ' A' ' 395' ' ' GLN . 34.1 mmtp -59.96 -59.55 5.25 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.576 -179.255 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -63.77 -43.31 96.76 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.059 0.457 . . . . 0.0 110.213 -178.289 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 401' ' ' GLU . . . . . 0.484 ' HB2' ' O ' ' A' ' 397' ' ' GLY . 10.4 tt0 -54.94 -54.66 39.91 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.362 175.65 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 402' ' ' ILE . . . . . 0.941 HD12 HD11 ' A' ' 398' ' ' ILE . 0.3 OUTLIER -58.19 -29.9 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 O-C-N 123.385 0.428 . . . . 0.0 111.4 -177.117 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.657 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 81.0 mtp180 -57.0 -52.97 63.13 Favored 'General case' 0 CA--C 1.521 -0.168 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 174.794 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 404' ' ' ARG . . . . . 0.42 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 20.8 mmm180 -75.92 -39.29 56.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.093 -179.671 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 405' ' ' GLN . . . . . 0.556 ' HB2' ' HA ' ' A' ' 402' ' ' ILE . 15.9 mm-40 -61.96 -47.9 82.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.135 -179.36 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 406' ' ' GLU . . . . . 0.649 ' HA ' ' HB3' ' A' ' 409' ' ' LEU . 33.9 mt-10 -76.87 -18.78 58.13 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.507 178.236 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.657 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 4.6 t80 -67.19 -51.8 49.14 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 175.199 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 408' ' ' LEU . . . . . 0.689 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.2 pp -70.79 -32.13 69.13 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.317 176.33 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 409' ' ' LEU . . . . . 0.649 ' HB3' ' HA ' ' A' ' 406' ' ' GLU . 52.3 tp -59.15 -45.07 91.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.145 0.498 . . . . 0.0 109.673 174.544 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -60.27 -44.61 95.18 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.388 -0.823 . . . . 0.0 109.922 176.157 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 411' ' ' SER . . . . . 0.424 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 24.7 m -62.24 -57.39 11.63 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.249 -179.666 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.689 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 3.3 pp -67.8 -16.56 64.17 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -176.919 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 413' ' ' HIS . . . . . 0.41 ' N ' HD12 ' A' ' 412' ' ' LEU . 5.3 m170 -70.02 -40.95 74.9 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 120.735 0.302 . . . . 0.0 110.803 173.37 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 414' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 411' ' ' SER . 28.6 ptt180 -80.43 -13.77 58.85 Favored 'General case' 0 C--N 1.328 -0.37 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.401 178.185 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 415' ' ' ASP . . . . . 0.459 ' OD2' ' HA ' ' A' ' 412' ' ' LEU . 17.1 m-20 -69.56 -17.25 63.54 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.923 0.392 . . . . 0.0 110.148 172.434 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.479 HD21 ' HB2' ' A' ' 425' ' ' LYS . 44.4 mt . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.248 176.959 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 422' ' ' ASP . . . . . 0.574 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 9.9 t70 . . . . . 0 N--CA 1.455 -0.199 0 CA-C-O 120.953 0.406 . . . . 0.0 110.066 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 91.1 mt -82.76 -14.48 54.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.199 -177.533 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 35.2 t -71.71 -53.32 13.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.944 -178.142 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 425' ' ' LYS . . . . . 0.574 ' HD3' ' OD1' ' A' ' 422' ' ' ASP . 12.1 mptt -62.53 -29.58 70.67 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.985 -179.217 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 426' ' ' GLU . . . . . 0.693 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 34.7 tt0 -68.58 -57.81 5.2 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.687 -176.33 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -62.97 -29.21 70.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.992 0.425 . . . . 0.0 110.423 177.421 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 428' ' ' ARG . . . . . 0.482 ' O ' HG12 ' A' ' 432' ' ' VAL . 17.9 ttt180 -73.31 -39.38 65.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.853 -178.306 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.693 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 3.6 pp -64.11 -32.94 74.69 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.293 -179.939 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -77.07 -32.89 57.11 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.375 177.17 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 36.1 tt0 -60.37 -57.41 12.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.353 176.729 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.482 HG12 ' O ' ' A' ' 428' ' ' ARG . 4.9 p -61.52 -38.44 80.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 179.5 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -63.37 -47.36 82.39 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.332 -177.978 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 434' ' ' ARG . . . . . 0.5 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 2.4 ptm180 -69.42 -28.3 66.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.492 -175.587 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 435' ' ' ILE . . . . . . . . . . . . . 72.3 mt -74.43 -53.06 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.217 178.934 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 436' ' ' LEU . . . . . 0.684 ' HB2' HG13 ' A' ' 402' ' ' ILE . 4.4 pp -61.49 -33.17 73.32 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.672 0.272 . . . . 0.0 110.788 -179.822 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 437' ' ' THR . . . . . 0.497 ' N ' HD12 ' A' ' 436' ' ' LEU . 46.8 m -72.1 -55.97 6.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.817 177.876 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.02 -31.14 70.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.668 0.271 . . . . 0.0 111.052 -177.835 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 439' ' ' LEU . . . . . 0.685 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 45.6 tp -63.57 -61.42 2.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.392 179.148 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 440' ' ' LYS . . . . . 0.489 ' HB3' HG13 ' A' ' 398' ' ' ILE . 56.3 pttt -62.61 -28.72 70.09 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.684 0.278 . . . . 0.0 111.522 -178.141 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -68.55 -56.5 8.11 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.167 176.956 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -56.18 -43.74 78.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.357 -179.747 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 443' ' ' LEU . . . . . 0.685 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 85.7 mt . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.53 -179.382 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 395' ' ' GLN . . . . . 0.555 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 7.5 tp60 . . . . . 0 N--CA 1.456 -0.143 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -67.86 -18.64 64.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.17 0.51 . . . . 0.0 109.797 173.499 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.44 -58.62 11.62 Favored Glycine 0 N--CA 1.443 -0.9 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.41 177.175 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.485 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -66.38 -32.14 56.76 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.846 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.689 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 399' ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' A' ' 395' ' ' GLN . 33.0 mmtp -58.63 -49.93 75.69 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.863 0.363 . . . . 0.0 111.02 179.717 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -66.2 -49.05 68.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.181 0.515 . . . . 0.0 110.355 178.784 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -64.67 -39.9 94.48 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.299 -176.916 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 402' ' ' ILE . . . . . 0.682 HG13 HD22 ' A' ' 436' ' ' LEU . 12.3 tt -66.83 -30.09 48.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 117.544 0.157 . . . . 0.0 110.811 -177.584 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.653 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 89.6 mtt180 -64.18 -46.95 81.7 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 177.142 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -68.77 -42.82 76.94 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.587 -1.188 . . . . 0.0 111.327 178.164 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 405' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -67.82 -46.05 72.94 Favored 'General case' 0 C--O 1.221 -0.398 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -177.436 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 406' ' ' GLU . . . . . 0.444 ' HA ' ' HB3' ' A' ' 409' ' ' LEU . 40.5 mt-10 -71.59 -20.55 61.98 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.211 177.236 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.653 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 9.1 t80 -67.83 -54.21 20.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.678 175.949 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 408' ' ' LEU . . . . . 0.682 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.3 pp -70.61 -30.63 67.35 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.364 177.563 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 409' ' ' LEU . . . . . 0.546 ' HG ' ' HB2' ' A' ' 429' ' ' LEU . 8.3 tt -57.71 -48.96 78.11 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 174.441 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -58.82 -42.27 88.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.03 176.222 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 31.2 m -62.28 -57.22 12.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.994 -179.662 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.682 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 3.9 pp -71.73 -15.73 62.2 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 111.035 -178.245 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -74.46 -37.14 63.3 Favored 'General case' 0 CA--C 1.516 -0.329 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 172.866 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 31.3 mtm180 -68.34 -22.54 64.68 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.494 177.163 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 415' ' ' ASP . . . . . 0.595 ' OD2' ' HA ' ' A' ' 412' ' ' LEU . 9.4 m-20 -64.5 -19.05 65.35 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.669 173.334 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.625 HD21 ' HB2' ' A' ' 425' ' ' LYS . 58.1 mt . . . . . 0 C--N 1.326 -0.441 0 CA-C-O 121.184 0.516 . . . . 0.0 110.921 -177.836 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 14.0 t70 . . . . . 0 CA--C 1.516 -0.34 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 423' ' ' LEU . . . . . 0.406 ' O ' ' HG2' ' A' ' 427' ' ' GLU . 68.8 mt -111.35 -18.84 12.82 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.213 179.327 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 424' ' ' SER . . . . . 0.513 ' O ' ' HG3' ' A' ' 428' ' ' ARG . 79.5 p -63.57 -45.12 91.91 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.011 -177.355 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 425' ' ' LYS . . . . . 0.625 ' HB2' HD21 ' A' ' 416' ' ' LEU . 35.3 mmtp -67.09 -30.18 70.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.125 0.488 . . . . 0.0 110.523 178.825 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 426' ' ' GLU . . . . . 0.622 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 37.1 tt0 -73.62 -40.66 63.64 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.038 -177.099 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 427' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 423' ' ' LEU . 5.8 mm-40 -65.26 -27.15 68.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.285 0.564 . . . . 0.0 109.564 174.624 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 428' ' ' ARG . . . . . 0.513 ' HG3' ' O ' ' A' ' 424' ' ' SER . 93.1 mtt180 -73.33 -45.43 55.31 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.203 -179.763 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.673 ' HB3' ' CD1' ' A' ' 412' ' ' LEU . 4.0 pp -64.52 -36.13 83.2 Favored 'General case' 0 CA--C 1.51 -0.583 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.098 -178.93 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -76.12 -27.7 57.18 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.066 179.288 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.52 ' O ' HG13 ' A' ' 435' ' ' ILE . 10.0 tp10 -64.98 -58.13 6.91 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.944 177.828 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 17.3 m -64.13 -30.69 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.723 179.701 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -66.22 -49.27 67.8 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 178.888 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 434' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -71.08 -22.06 62.15 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.057 -177.671 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 435' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 431' ' ' GLU . 79.7 mt -71.07 -57.99 6.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.215 173.361 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 436' ' ' LEU . . . . . 0.682 HD22 HG13 ' A' ' 402' ' ' ILE . 4.5 pp -60.73 -30.02 69.72 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.704 0.288 . . . . 0.0 110.698 -179.742 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 437' ' ' THR . . . . . 0.628 ' O ' ' HG2' ' A' ' 441' ' ' ARG . 90.7 m -69.01 -59.65 2.9 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.686 176.542 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.35 -38.03 82.53 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 120.852 0.358 . . . . 0.0 110.951 -177.444 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 44.8 tp -59.66 -58.52 8.23 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.088 -179.224 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 440' ' ' LYS . . . . . 0.485 ' HB3' HG13 ' A' ' 398' ' ' ILE . 16.2 pttp -62.45 -29.46 70.54 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.722 0.296 . . . . 0.0 111.635 -174.402 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 441' ' ' ARG . . . . . 0.628 ' HG2' ' O ' ' A' ' 437' ' ' THR . 9.8 mmm180 -76.11 -51.47 12.15 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.401 178.679 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -74.25 -7.56 53.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.999 0.428 . . . . 0.0 111.528 -178.541 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 8.6 tt . . . . . 0 C--N 1.319 -0.735 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.187 177.985 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 . . . . . 0 C--O 1.235 0.338 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -70.0 -11.61 61.01 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.997 173.228 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.67 -61.14 6.49 Favored Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.264 176.162 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.475 ' HB ' HD23 ' A' ' 439' ' ' LEU . 0.0 OUTLIER -66.21 -30.02 48.57 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.669 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.234 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 399' ' ' LYS . . . . . 0.832 ' HA ' ' HE3' ' A' ' 399' ' ' LYS . 0.2 OUTLIER -55.26 -57.08 13.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.135 0.493 . . . . 0.0 110.757 176.731 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 400' ' ' GLU . . . . . 0.669 ' HG3' HH21 ' A' ' 403' ' ' ARG . 33.5 tt0 -72.09 -42.28 66.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.092 -179.287 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -65.53 -31.59 72.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.505 -179.172 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 402' ' ' ILE . . . . . 0.617 HG22 ' O ' ' A' ' 399' ' ' LYS . 11.1 tt -70.08 -34.33 58.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.424 -0.511 . . . . 0.0 110.081 178.399 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.669 HH21 ' HG3' ' A' ' 400' ' ' GLU . 53.3 mtm180 -59.11 -48.64 80.87 Favored 'General case' 0 CA--C 1.519 -0.212 0 C-N-CA 120.568 -0.453 . . . . 0.0 109.851 173.197 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -68.06 -46.67 70.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.153 -178.347 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 405' ' ' GLN . . . . . 0.587 ' O ' HD23 ' A' ' 408' ' ' LEU . 90.5 mt-30 -68.95 -46.22 68.74 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.849 -176.09 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -64.15 -27.53 69.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.995 0.426 . . . . 0.0 110.357 176.458 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.596 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 6.6 t80 -65.5 -57.72 7.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.323 -179.616 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 408' ' ' LEU . . . . . 0.587 HD23 ' O ' ' A' ' 405' ' ' GLN . 1.3 pt? -76.29 -25.75 55.2 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 119.851 -0.74 . . . . 0.0 110.253 -178.084 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 409' ' ' LEU . . . . . 0.708 HD12 HG23 ' A' ' 432' ' ' VAL . 6.5 tt -58.81 -51.02 71.77 Favored 'General case' 0 C--O 1.223 -0.309 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 174.401 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -57.59 -40.84 79.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.639 176.874 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 39.3 m -63.75 -60.96 2.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.404 179.908 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 4.5 pp -67.34 -18.34 65.12 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 120.853 0.359 . . . . 0.0 111.316 -177.662 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 413' ' ' HIS . . . . . 0.423 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 19.9 t-160 -65.76 -38.64 89.62 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 172.446 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -79.81 -15.11 58.07 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.863 178.433 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -72.94 0.52 10.98 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.859 0.361 . . . . 0.0 110.393 171.208 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.686 HD21 ' HB2' ' A' ' 425' ' ' LYS . 90.2 mt . . . . . 0 C--N 1.322 -0.61 0 CA-C-O 120.978 0.418 . . . . 0.0 109.874 174.222 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 422' ' ' ASP . . . . . 0.513 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 10.2 t70 . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 . . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 86.3 mt -112.68 -18.79 12.26 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.112 0.482 . . . . 0.0 110.3 177.741 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 47.6 p -67.21 -38.76 85.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.197 -176.869 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 425' ' ' LYS . . . . . 0.686 ' HB2' HD21 ' A' ' 416' ' ' LEU . 1.8 mmpp? -65.24 -32.13 73.64 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 120.837 0.351 . . . . 0.0 110.221 -179.896 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 426' ' ' GLU . . . . . 0.575 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 35.7 tt0 -67.15 -46.69 73.28 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.815 -178.404 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -63.38 -30.17 71.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.282 175.363 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -75.88 -41.09 53.17 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.8 -177.401 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.5 pp -66.55 -32.8 74.37 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.136 178.287 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -78.66 -26.93 45.17 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 177.977 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.587 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 39.5 tt0 -66.54 -54.65 21.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.562 178.867 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.708 HG23 HD12 ' A' ' 409' ' ' LEU . 29.5 m -68.09 -29.82 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 CA-C-O 120.805 0.336 . . . . 0.0 110.847 179.306 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -67.59 -48.43 66.87 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.483 179.95 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 434' ' ' ARG . . . . . 0.587 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 16.5 ptm180 -64.14 -31.16 72.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.589 -178.223 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 435' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 431' ' ' GLU . 86.2 mt -69.04 -54.83 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.037 178.992 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 436' ' ' LEU . . . . . 0.575 HD22 HG13 ' A' ' 402' ' ' ILE . 4.4 pp -62.09 -33.07 73.76 Favored 'General case' 0 C--N 1.334 -0.096 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.837 -178.926 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 437' ' ' THR . . . . . 0.528 ' O ' ' HG2' ' A' ' 441' ' ' ARG . 54.1 m -71.04 -54.88 9.61 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.77 179.569 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -64.92 -34.38 78.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.903 -175.46 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 439' ' ' LEU . . . . . 0.475 HD23 ' HB ' ' A' ' 398' ' ' ILE . 50.9 tp -65.7 -54.9 21.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.635 -178.319 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 440' ' ' LYS . . . . . . . . . . . . . 58.2 pttt -61.53 -32.06 72.11 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 121.317 0.58 . . . . 0.0 110.663 -177.184 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 441' ' ' ARG . . . . . 0.528 ' HG2' ' O ' ' A' ' 437' ' ' THR . 37.3 mmt180 -68.54 -52.53 30.97 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.751 179.693 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.13 7.85 23.23 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -176.375 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 16.1 tp . . . . . 0 C--N 1.329 -0.283 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.269 178.246 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 395' ' ' GLN . . . . . 0.533 ' O ' ' HB2' ' A' ' 399' ' ' LYS . 14.1 mm100 . . . . . 0 CA--C 1.519 -0.225 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 . . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -70.1 -10.78 59.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.529 174.49 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -69.09 -69.23 1.43 Allowed Glycine 0 N--CA 1.442 -0.905 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.647 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -64.84 -28.33 44.56 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.096 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 399' ' ' LYS . . . . . 0.782 ' HA ' ' HE2' ' A' ' 399' ' ' LYS . 0.0 OUTLIER -58.61 -58.26 9.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.076 0.465 . . . . 0.0 110.914 178.833 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 400' ' ' GLU . . . . . 0.676 ' HG3' HH21 ' A' ' 403' ' ' ARG . 34.3 tt0 -71.73 -42.62 67.08 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.679 -177.658 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 401' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 47.8 mt-10 -61.71 -42.65 99.23 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.6 179.085 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 402' ' ' ILE . . . . . 0.647 HD12 HD11 ' A' ' 398' ' ' ILE . 9.5 tt -64.59 -28.69 45.4 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.256 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.545 -177.805 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.676 HH21 ' HG3' ' A' ' 400' ' ' GLU . 81.8 mtm180 -57.53 -48.86 78.15 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 120.139 -0.624 . . . . 0.0 109.344 172.408 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -72.29 -39.92 67.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.245 178.52 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 405' ' ' GLN . . . . . 0.555 ' HB2' ' HA ' ' A' ' 402' ' ' ILE . 95.8 mt-30 -64.41 -50.16 68.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.3 -177.628 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 406' ' ' GLU . . . . . 0.472 ' HG2' HG12 ' A' ' 402' ' ' ILE . 6.8 mm-40 -66.71 -27.73 67.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.004 0.431 . . . . 0.0 109.98 177.234 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.613 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.5 t80 -66.15 -51.25 59.63 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.937 177.971 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 408' ' ' LEU . . . . . 0.785 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.9 pp -70.42 -33.97 71.97 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.346 178.243 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 409' ' ' LEU . . . . . 0.605 ' HA ' HD12 ' A' ' 412' ' ' LEU . 28.9 tp -57.39 -41.1 79.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.396 0.617 . . . . 0.0 109.772 175.216 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -57.57 -48.8 78.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.795 178.529 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 35.0 p -67.65 -42.94 81.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.658 -177.967 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.785 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 15.2 mt -55.44 -44.61 76.5 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-O 121.721 0.772 . . . . 0.0 109.83 175.6 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 413' ' ' HIS . . . . . 0.512 ' HD2' HD22 ' A' ' 429' ' ' LEU . 32.5 m170 -62.5 -45.04 94.83 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.477 -1.238 . . . . 0.0 111.72 178.268 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -79.14 -1.65 37.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.742 0.306 . . . . 0.0 111.306 -178.738 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -102.16 7.74 40.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.305 0.574 . . . . 0.0 109.706 177.957 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 412' ' ' LEU . 74.9 mt . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.807 175.479 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 9.3 t70 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.6 mp -82.93 -33.95 26.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.9 -175.079 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 424' ' ' SER . . . . . 0.49 ' O ' ' HB2' ' A' ' 428' ' ' ARG . 8.6 t -65.85 -44.96 83.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.838 -176.022 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 43.7 mttp -75.28 -29.09 60.01 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 121.151 -0.22 . . . . 0.0 110.489 179.535 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 426' ' ' GLU . . . . . 0.637 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 40.9 tt0 -63.46 -50.06 71.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.302 0.573 . . . . 0.0 110.48 178.91 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -72.3 -23.96 61.26 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.122 177.756 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 428' ' ' ARG . . . . . 0.49 ' HB2' ' O ' ' A' ' 424' ' ' SER . 47.5 ttt180 -74.02 -46.55 42.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.406 -178.273 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.637 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.1 pp -60.09 -35.59 75.55 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.12 176.791 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -74.11 -32.64 63.29 Favored 'General case' 0 N--CA 1.445 -0.716 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.489 178.428 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.495 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 11.3 tp10 -62.21 -56.33 19.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.909 178.217 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.523 HG21 HD11 ' A' ' 408' ' ' LEU . 13.3 p -66.4 -33.0 60.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.918 -178.942 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 433' ' ' GLN . . . . . 0.481 ' HB2' ' O ' ' A' ' 429' ' ' LEU . 42.6 tt0 -63.67 -45.99 87.58 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 120.798 0.332 . . . . 0.0 110.297 -177.435 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 434' ' ' ARG . . . . . 0.495 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 32.0 ptt180 -67.91 -32.09 72.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.523 -178.515 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 435' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 431' ' ' GLU . 76.8 mt -69.1 -57.12 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 121.127 -0.229 . . . . 0.0 111.243 178.89 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 436' ' ' LEU . . . . . 0.452 HD12 ' N ' ' A' ' 437' ' ' THR . 4.4 pp -58.06 -34.68 70.38 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.672 0.272 . . . . 0.0 110.899 -178.719 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 437' ' ' THR . . . . . 0.553 ' O ' ' HG2' ' A' ' 441' ' ' ARG . 58.2 m -70.62 -57.35 4.82 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.623 177.981 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.11 -38.96 84.57 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.755 0.312 . . . . 0.0 111.248 -175.675 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 439' ' ' LEU . . . . . 0.439 HD23 ' HB ' ' A' ' 398' ' ' ILE . 39.8 tp -65.5 -54.5 27.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.2 -176.961 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 440' ' ' LYS . . . . . 0.466 ' HB3' HG13 ' A' ' 398' ' ' ILE . 61.5 pttt -63.67 -29.92 71.09 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.923 0.392 . . . . 0.0 110.94 -175.448 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 441' ' ' ARG . . . . . 0.553 ' HG2' ' O ' ' A' ' 437' ' ' THR . 34.9 mmt180 -73.91 -48.97 27.06 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.852 -179.027 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -66.18 -27.23 67.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.817 178.396 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 21.6 tp . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.426 -177.735 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -68.71 -21.48 64.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.805 171.978 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.58 -55.33 23.52 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.936 177.981 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.562 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -67.69 -34.47 68.06 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.863 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 177.187 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 399' ' ' LYS . . . . . 0.511 ' O ' HG22 ' A' ' 402' ' ' ILE . 0.3 OUTLIER -61.03 -49.71 76.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.826 0.346 . . . . 0.0 111.703 -177.676 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -68.17 -46.92 69.39 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.309 0.576 . . . . 0.0 110.172 179.786 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 401' ' ' GLU . . . . . 0.513 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 5.7 mm-40 -65.58 -37.22 86.05 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.608 -0.723 . . . . 0.0 111.593 -178.981 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 402' ' ' ILE . . . . . 0.562 HD12 HD11 ' A' ' 398' ' ' ILE . 12.0 tt -68.17 -30.22 47.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -177.739 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.673 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 97.6 mtt180 -62.61 -43.28 99.19 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 173.928 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 404' ' ' ARG . . . . . 0.507 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 64.3 mtt85 -67.04 -49.24 65.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.918 175.23 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 405' ' ' GLN . . . . . 0.513 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 53.5 mt-30 -58.9 -58.88 6.67 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.004 -178.978 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -60.62 -27.04 67.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.752 0.31 . . . . 0.0 110.747 -179.645 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.673 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 6.6 t80 -63.51 -60.05 3.86 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.977 178.073 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 408' ' ' LEU . . . . . 0.633 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.2 pp -70.58 -29.21 65.58 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 -179.336 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 409' ' ' LEU . . . . . 0.557 ' HG ' ' HB2' ' A' ' 429' ' ' LEU . 7.9 tt -60.57 -47.23 87.09 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 176.391 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 410' ' ' ASN . . . . . 0.455 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 11.0 t30 -61.92 -42.49 99.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.229 177.472 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 22.2 m -59.86 -52.87 63.6 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.855 179.653 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.679 ' HB2' ' HB3' ' A' ' 425' ' ' LYS . 3.9 pp -75.59 -18.88 59.59 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.309 -0.557 . . . . 0.0 111.208 -178.751 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 413' ' ' HIS . . . . . 0.424 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 2.3 t60 -67.14 -43.04 83.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.057 0.456 . . . . 0.0 109.862 175.202 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 414' ' ' ARG . . . . . 0.455 ' HG2' ' O ' ' A' ' 410' ' ' ASN . 11.3 ptm180 -80.11 -13.66 59.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 177.811 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 415' ' ' ASP . . . . . 0.458 ' HB2' ' HA ' ' A' ' 412' ' ' LEU . 15.1 t70 -65.75 -23.59 66.76 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.549 0.69 . . . . 0.0 110.016 174.688 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.744 HD21 ' HB2' ' A' ' 425' ' ' LYS . 24.9 mt . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.999 -179.194 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 422' ' ' ASP . . . . . 0.46 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 11.1 t70 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 . . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -120.38 -7.17 9.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.142 0.496 . . . . 0.0 110.507 176.226 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 38.6 m -73.84 -40.42 63.32 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.178 -177.296 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 425' ' ' LYS . . . . . 0.744 ' HB2' HD21 ' A' ' 416' ' ' LEU . 28.1 mmtm -69.44 -30.43 68.35 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 178.957 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 426' ' ' GLU . . . . . 0.597 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 8.4 tp10 -65.33 -49.69 68.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.934 -177.686 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -69.84 -27.21 64.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.966 178.594 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 428' ' ' ARG . . . . . 0.487 ' O ' HG23 ' A' ' 432' ' ' VAL . 22.8 tpt180 -74.42 -45.44 46.51 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.219 -178.087 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.637 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.3 pp -62.13 -35.84 79.97 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.347 -179.965 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -68.61 -33.42 74.01 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.163 179.487 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.535 ' HG3' ' HE ' ' A' ' 434' ' ' ARG . 35.9 tt0 -68.82 -43.95 74.51 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.088 175.277 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 428' ' ' ARG . 61.0 t -59.13 -47.46 90.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.289 0.566 . . . . 0.0 109.981 175.142 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -61.9 -43.9 97.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.651 -178.393 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 434' ' ' ARG . . . . . 0.535 ' HE ' ' HG3' ' A' ' 431' ' ' GLU . 36.3 ptt180 -68.06 -25.08 65.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.646 -176.887 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 435' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 431' ' ' GLU . 74.1 mt -76.06 -56.69 7.73 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-N 116.822 -0.172 . . . . 0.0 110.868 177.853 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 436' ' ' LEU . . . . . 0.429 HD12 ' N ' ' A' ' 437' ' ' THR . 3.8 pp -60.73 -32.49 71.76 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.505 0.193 . . . . 0.0 111.24 -178.434 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 437' ' ' THR . . . . . 0.689 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 79.0 m -69.54 -54.38 14.4 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.75 177.296 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 438' ' ' ALA . . . . . 0.531 ' O ' ' HD2' ' A' ' 442' ' ' LYS . . . -63.05 -38.97 93.3 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.763 -0.199 . . . . 0.0 110.766 -177.54 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 439' ' ' LEU . . . . . 0.5 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 36.1 tp -59.84 -54.69 43.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.134 -177.207 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 440' ' ' LYS . . . . . 0.689 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 62.5 pttt -62.85 -33.58 75.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.811 0.338 . . . . 0.0 111.243 -177.266 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -72.9 -50.23 24.96 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.681 -179.801 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 442' ' ' LYS . . . . . 0.531 ' HD2' ' O ' ' A' ' 438' ' ' ALA . 0.7 OUTLIER -67.99 -20.21 65.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.775 -177.097 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 443' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 77.8 mt . . . . . 0 C--N 1.325 -0.466 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.559 179.745 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 121.108 0.48 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -69.07 -15.29 63.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.343 174.46 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.62 -56.37 19.73 Favored Glycine 0 N--CA 1.447 -0.595 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.409 178.162 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.51 ' CD1' ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -69.7 -29.22 40.29 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.859 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 177.066 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 399' ' ' LYS . . . . . 0.453 ' O ' HG22 ' A' ' 402' ' ' ILE . 0.6 OUTLIER -57.95 -53.21 60.86 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.693 -178.905 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 400' ' ' GLU . . . . . 0.507 ' HA ' ' HD3' ' A' ' 403' ' ' ARG . 0.4 OUTLIER -71.71 -39.36 70.21 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 177.453 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 401' ' ' GLU . . . . . 0.443 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 18.9 mm-40 -59.1 -47.93 83.47 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.61 178.713 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 402' ' ' ILE . . . . . 0.453 HG22 ' O ' ' A' ' 399' ' ' LYS . 12.5 tt -65.38 -29.56 47.55 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.469 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -177.424 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.578 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 26.8 mtp85 -58.99 -44.94 91.71 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.112 172.542 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 404' ' ' ARG . . . . . 0.491 ' HG2' ' O ' ' A' ' 400' ' ' GLU . 9.8 mmm180 -75.07 -42.62 56.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.111 0.481 . . . . 0.0 110.298 179.786 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 405' ' ' GLN . . . . . 0.443 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 74.4 mt-30 -67.39 -47.73 69.48 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.499 -177.349 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 406' ' ' GLU . . . . . 0.423 ' HG2' HG12 ' A' ' 402' ' ' ILE . 60.7 mm-40 -63.85 -30.9 71.94 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 176.261 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.578 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 1.4 t80 -57.99 -56.65 19.27 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.88 177.84 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 408' ' ' LEU . . . . . 0.507 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.5 pp -74.51 -30.76 61.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.355 -179.671 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 409' ' ' LEU . . . . . 0.495 ' N ' HD12 ' A' ' 408' ' ' LEU . 6.6 tt -60.53 -47.85 84.34 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 177.876 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -60.53 -40.95 93.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.216 177.974 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 411' ' ' SER . . . . . 0.446 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 23.0 t -63.16 -57.41 10.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.77 179.227 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.605 ' HA ' ' OD1' ' A' ' 415' ' ' ASP . 4.5 pp -67.66 -17.09 64.47 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 122.017 -0.427 . . . . 0.0 111.379 -178.834 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -71.78 -37.67 70.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.657 0.265 . . . . 0.0 110.599 174.01 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 414' ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' A' ' 411' ' ' SER . 12.3 ptm180 -85.26 -1.88 57.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.805 0.336 . . . . 0.0 111.208 179.392 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 415' ' ' ASP . . . . . 0.605 ' OD1' ' HA ' ' A' ' 412' ' ' LEU . 1.1 m-20 -61.47 -28.01 68.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.403 165.347 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 3.5 mp . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.949 -178.661 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 422' ' ' ASP . . . . . 0.646 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 10.3 t70 . . . . . 0 N--CA 1.454 -0.231 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 93.6 mt -94.2 -19.72 20.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.025 0.441 . . . . 0.0 111.105 -176.439 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 68.4 m -72.56 -32.25 65.91 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -176.01 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 425' ' ' LYS . . . . . 0.646 ' HG2' ' OD1' ' A' ' 422' ' ' ASP . 52.1 mmtt -59.68 -36.88 77.36 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.113 0.482 . . . . 0.0 110.416 178.328 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 426' ' ' GLU . . . . . 0.559 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 40.7 tt0 -77.66 -42.43 34.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.078 -175.238 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -62.61 -32.46 73.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.411 0.624 . . . . 0.0 109.701 174.672 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 428' ' ' ARG . . . . . 0.552 ' O ' HG23 ' A' ' 432' ' ' VAL . 23.9 ttm180 -75.6 -45.06 39.72 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.802 -177.561 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.6 pp -60.63 -33.43 72.76 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.52 179.258 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 430' ' ' TRP . . . . . 0.457 ' N ' HD12 ' A' ' 429' ' ' LEU . 2.2 t90 -75.27 -33.08 61.23 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.326 178.52 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -59.01 -51.76 68.7 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 174.553 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 428' ' ' ARG . 32.6 t -58.69 -48.95 84.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.556 178.212 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -62.07 -44.25 97.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.242 -175.818 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 434' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -70.36 -24.66 63.01 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.788 -175.757 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 435' ' ' ILE . . . . . . . . . . . . . 74.8 mt -78.09 -56.21 8.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.625 -0.262 . . . . 0.0 110.683 178.029 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 436' ' ' LEU . . . . . 0.488 HD23 HG12 ' A' ' 432' ' ' VAL . 4.5 pp -61.47 -29.99 70.32 Favored 'General case' 0 N--CA 1.461 0.112 0 CA-C-O 120.834 0.349 . . . . 0.0 110.965 -179.241 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 437' ' ' THR . . . . . 0.61 ' HA ' ' NZ ' ' A' ' 440' ' ' LYS . 96.7 m -71.28 -58.42 3.55 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.645 177.369 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -58.89 -32.03 69.14 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.931 0.396 . . . . 0.0 110.981 -176.825 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 439' ' ' LEU . . . . . 0.461 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 26.1 tp -66.69 -60.72 2.44 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.605 -179.756 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 440' ' ' LYS . . . . . 0.61 ' NZ ' ' HA ' ' A' ' 437' ' ' THR . 26.3 pttm -64.82 -28.34 69.49 Favored 'General case' 0 CA--C 1.517 -0.293 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.432 -175.712 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 441' ' ' ARG . . . . . 0.482 ' HG2' ' O ' ' A' ' 437' ' ' THR . 38.4 mmt180 -62.96 -60.14 3.87 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.263 178.083 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 442' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 442' ' ' LYS . 3.2 mptp? -80.17 0.1 33.74 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -174.89 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 443' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 58.7 mt . . . . . 0 C--N 1.325 -0.46 0 CA-C-O 120.666 0.27 . . . . 0.0 110.715 172.801 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -70.75 -18.73 62.77 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.461 176.316 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.89 -57.75 14.72 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 111.409 -0.677 . . . . 0.0 111.409 179.246 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.547 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -70.44 -34.16 56.73 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.651 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 177.019 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 399' ' ' LYS . . . . . 0.822 ' HA ' ' HE2' ' A' ' 399' ' ' LYS . 0.4 OUTLIER -54.57 -48.46 72.05 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.785 0.326 . . . . 0.0 111.594 -179.294 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 400' ' ' GLU . . . . . 0.446 ' OE1' ' HD2' ' A' ' 403' ' ' ARG . 4.7 tp10 -73.46 -47.58 40.41 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-O 121.235 0.541 . . . . 0.0 110.16 -177.74 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -60.2 -43.47 95.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.094 179.798 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 402' ' ' ILE . . . . . 0.547 HD12 HD11 ' A' ' 398' ' ' ILE . 13.2 tt -65.74 -29.39 46.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 O-C-N 123.114 0.258 . . . . 0.0 110.475 -176.964 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.605 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 62.4 mtt180 -57.74 -51.77 68.21 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 172.686 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 404' ' ' ARG . . . . . 0.407 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 3.3 mmp_? -68.34 -44.19 75.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.062 178.995 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 405' ' ' GLN . . . . . 0.482 ' OE1' ' HB3' ' A' ' 436' ' ' LEU . 98.7 mt-30 -61.36 -51.5 68.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.702 -177.694 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 406' ' ' GLU . . . . . 0.449 ' HG3' HG12 ' A' ' 402' ' ' ILE . 48.2 mt-10 -69.73 -23.03 63.34 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.693 179.617 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.605 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.8 t80 -68.56 -50.25 53.27 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 176.741 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 408' ' ' LEU . . . . . 0.762 HD11 HG11 ' A' ' 432' ' ' VAL . 3.5 pp -73.43 -27.68 61.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.593 177.617 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 409' ' ' LEU . . . . . 0.405 ' N ' HD12 ' A' ' 408' ' ' LEU . 8.0 tt -64.98 -42.69 94.31 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 174.328 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 410' ' ' ASN . . . . . 0.526 ' O ' ' HG3' ' A' ' 414' ' ' ARG . 2.3 t-20 -60.74 -47.86 84.38 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.198 172.714 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 23.0 t -56.8 -54.64 44.1 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.689 179.322 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.872 HD11 ' HB3' ' A' ' 429' ' ' LEU . 4.5 pp -65.95 -24.37 66.79 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 120.765 0.317 . . . . 0.0 111.402 -178.468 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 413' ' ' HIS . . . . . 0.42 ' N ' HD12 ' A' ' 412' ' ' LEU . 1.9 m170 -68.04 -36.33 79.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.778 0.323 . . . . 0.0 110.65 173.412 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 414' ' ' ARG . . . . . 0.526 ' HG3' ' O ' ' A' ' 410' ' ' ASN . 67.8 mtt180 -68.97 -23.87 64.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.99 176.88 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -76.88 -26.06 53.78 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.476 175.969 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.513 HD21 ' HB2' ' A' ' 425' ' ' LYS . 58.3 mt . . . . . 0 C--N 1.322 -0.604 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -175.724 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 422' ' ' ASP . . . . . 0.673 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 9.8 t70 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 . . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 70.1 mt -105.2 -18.23 14.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.945 0.402 . . . . 0.0 110.706 -176.955 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 44.4 t -67.41 -46.27 73.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.347 -177.326 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 425' ' ' LYS . . . . . 0.673 ' HD3' ' OD1' ' A' ' 422' ' ' ASP . 11.3 mptt -64.21 -27.03 68.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.675 -179.821 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 426' ' ' GLU . . . . . 0.564 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 34.4 tt0 -69.29 -51.42 37.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.018 0.437 . . . . 0.0 110.507 -177.506 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -68.17 -23.02 64.81 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.387 178.429 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -74.83 -48.27 26.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.122 178.43 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.872 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.5 pp -63.48 -31.67 72.9 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.175 -179.551 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -76.47 -29.81 57.04 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.404 -179.962 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.469 ' O ' HG13 ' A' ' 435' ' ' ILE . 9.4 tp10 -66.03 -58.05 6.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.06 0.457 . . . . 0.0 109.772 178.559 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.762 HG11 HD11 ' A' ' 408' ' ' LEU . 28.3 m -63.8 -29.6 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.947 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 433' ' ' GLN . . . . . 0.442 ' HB2' ' O ' ' A' ' 429' ' ' LEU . 47.9 tt0 -65.24 -52.73 52.68 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.473 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 434' ' ' ARG . . . . . . . . . . . . . 40.4 ptt180 -67.71 -23.18 65.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.962 -176.074 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 435' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 431' ' ' GLU . 81.7 mt -76.01 -56.49 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.714 -0.221 . . . . 0.0 110.476 176.022 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 436' ' ' LEU . . . . . 0.482 ' HB3' ' OE1' ' A' ' 405' ' ' GLN . 4.5 pp -61.15 -35.21 76.47 Favored 'General case' 0 N--CA 1.457 -0.093 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.323 -179.023 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 88.3 m -66.68 -60.98 2.22 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.559 177.39 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -58.27 -42.21 86.01 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.224 -174.591 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 439' ' ' LEU . . . . . 0.629 ' O ' ' HB2' ' A' ' 443' ' ' LEU . 45.4 tp -63.24 -57.96 8.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.255 -176.609 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 440' ' ' LYS . . . . . 0.474 ' HB3' HG13 ' A' ' 398' ' ' ILE . 17.1 pttp -67.03 -28.44 68.23 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.699 0.285 . . . . 0.0 111.699 -173.575 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 27.7 mmm180 -71.57 -48.62 47.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.591 -179.822 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -74.26 -13.51 60.78 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.952 0.405 . . . . 0.0 110.983 178.332 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 443' ' ' LEU . . . . . 0.629 ' HB2' ' O ' ' A' ' 439' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.789 -177.516 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 395' ' ' GLN . . . . . 0.667 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 24.5 mm-40 . . . . . 0 C--O 1.233 0.225 0 CA-C-O 120.978 0.418 . . . . 0.0 109.9 . . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -66.45 -16.01 63.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.377 176.181 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.73 -56.8 12.94 Favored Glycine 0 N--CA 1.448 -0.567 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.744 178.1 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 398' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -25.61 36.42 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.759 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.299 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 399' ' ' LYS . . . . . 0.667 ' HG2' ' O ' ' A' ' 395' ' ' GLN . 31.9 mmtp -59.83 -50.21 74.68 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.598 176.7 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 400' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 404' ' ' ARG . 9.3 tt0 -65.85 -49.46 68.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.065 0.46 . . . . 0.0 109.811 176.27 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -60.21 -43.18 96.2 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.715 -175.857 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 402' ' ' ILE . . . . . 0.659 HG13 HD22 ' A' ' 436' ' ' LEU . 11.6 tt -67.43 -34.15 66.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 120.996 -0.282 . . . . 0.0 110.596 -177.804 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.614 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 98.4 mtt180 -63.11 -39.96 96.22 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.2 178.001 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 404' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 400' ' ' GLU . 13.6 ptm180 -86.21 -26.12 25.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.719 -178.66 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 405' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -76.16 -47.08 25.58 Favored 'General case' 0 C--O 1.223 -0.335 0 O-C-N 122.315 -0.241 . . . . 0.0 110.473 174.568 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -64.84 -24.72 67.63 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 174.597 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.614 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.2 t80 -60.81 -58.36 8.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.551 175.56 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 408' ' ' LEU . . . . . 0.476 HD12 ' N ' ' A' ' 409' ' ' LEU . 2.4 pp -72.16 -28.21 63.08 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.083 -179.822 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 409' ' ' LEU . . . . . 0.61 ' O ' ' HB2' ' A' ' 413' ' ' HIS . 7.7 tt -62.63 -44.74 95.52 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 175.85 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.74 -48.52 80.91 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.686 174.103 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 22.5 m -59.57 -50.96 71.88 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.061 -178.596 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.898 HD11 ' HB3' ' A' ' 429' ' ' LEU . 4.4 pp -66.32 -32.2 73.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.983 0.42 . . . . 0.0 110.423 179.046 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 413' ' ' HIS . . . . . 0.61 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 3.3 t-160 -65.27 -38.13 89.34 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.443 179.172 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 32.4 mmt-85 -81.96 -11.72 58.72 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.824 179.272 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -77.09 -15.99 59.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.509 175.47 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.861 HD21 ' HB2' ' A' ' 425' ' ' LYS . 37.8 mt . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.245 179.318 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 422' ' ' ASP . . . . . 0.577 ' OD2' ' HG2' ' A' ' 425' ' ' LYS . 34.8 t70 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 121.241 0.543 . . . . 0.0 110.034 . . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 9.0 mp -78.95 -13.2 59.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.542 -178.676 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 2.1 m -57.84 -51.01 71.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.646 -179.631 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 425' ' ' LYS . . . . . 0.861 ' HB2' HD21 ' A' ' 416' ' ' LEU . 33.1 mmtm -63.96 -26.99 68.83 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-O 120.761 0.315 . . . . 0.0 111.081 -178.471 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 426' ' ' GLU . . . . . 0.623 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 38.7 tt0 -70.92 -46.12 63.05 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.076 0.465 . . . . 0.0 110.464 -175.31 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -64.15 -33.2 75.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.292 0.567 . . . . 0.0 109.793 175.448 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 428' ' ' ARG . . . . . 0.532 ' O ' HG22 ' A' ' 432' ' ' VAL . 35.4 mmt180 -74.07 -42.64 59.87 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.055 -177.27 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.898 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.2 pp -61.19 -35.68 77.82 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.73 179.863 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -78.56 -27.73 45.85 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 119.935 -0.706 . . . . 0.0 110.424 178.836 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.546 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 44.1 tt0 -65.43 -58.18 6.48 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.363 -179.893 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.532 HG22 ' O ' ' A' ' 428' ' ' ARG . 3.2 m -63.55 -33.71 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.08 178.732 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -61.79 -50.36 72.65 Favored 'General case' 0 CA--C 1.516 -0.34 0 O-C-N 123.423 0.452 . . . . 0.0 110.039 179.804 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 434' ' ' ARG . . . . . 0.546 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 14.7 ptm180 -67.31 -32.39 73.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.561 -176.308 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 435' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 431' ' ' GLU . 79.2 mt -69.67 -57.62 7.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.262 179.97 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 436' ' ' LEU . . . . . 0.659 HD22 HG13 ' A' ' 402' ' ' ILE . 4.6 pp -60.47 -28.46 68.35 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.761 0.315 . . . . 0.0 110.946 179.762 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 437' ' ' THR . . . . . 0.565 ' HA ' ' NZ ' ' A' ' 440' ' ' LYS . 93.1 m -70.66 -58.22 3.88 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.75 -0.205 . . . . 0.0 110.912 176.452 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -58.4 -38.31 77.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.685 0.279 . . . . 0.0 110.814 -177.515 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 35.4 tp -63.23 -62.5 1.65 Allowed 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.118 -177.704 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 440' ' ' LYS . . . . . 0.565 ' NZ ' ' HA ' ' A' ' 437' ' ' THR . 26.1 pttm -61.85 -32.89 73.27 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.855 0.36 . . . . 0.0 111.916 -173.232 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -72.14 -53.44 12.72 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.716 -179.337 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -70.96 -28.09 64.21 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.21 -0.196 . . . . 0.0 111.523 -178.48 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 26.4 tp . . . . . 0 C--N 1.324 -0.527 0 CA-C-O 120.601 0.239 . . . . 0.0 110.777 179.909 . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 395' ' ' GLN . . . . . 0.431 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.236 0.388 0 CA-C-O 121.46 0.647 . . . . 0.0 109.615 . . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -67.65 -12.24 60.0 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.594 177.927 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.47 -58.94 8.99 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 111.426 -0.67 . . . . 0.0 111.426 178.107 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.524 ' CD1' ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -64.64 -35.26 74.31 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.631 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.897 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 399' ' ' LYS . . . . . 0.619 ' O ' ' HG3' ' A' ' 403' ' ' ARG . 34.1 mmtp -55.32 -55.03 36.15 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 120.759 0.314 . . . . 0.0 110.722 178.431 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -61.2 -54.14 47.99 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 121.301 0.572 . . . . 0.0 110.658 178.164 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 401' ' ' GLU . . . . . 0.529 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 44.3 mt-10 -58.89 -48.14 82.48 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.451 -176.586 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 402' ' ' ILE . . . . . 0.46 HD12 HD11 ' A' ' 398' ' ' ILE . 11.9 tt -64.92 -34.21 68.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 111.562 0.208 . . . . 0.0 111.562 -172.087 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.619 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 70.6 mtp180 -63.05 -40.97 99.3 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.98 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 404' ' ' ARG . . . . . 0.419 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 79.3 mtt180 -72.29 -40.99 67.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.538 176.582 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 405' ' ' GLN . . . . . 0.529 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 92.9 mt-30 -61.97 -55.86 25.05 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.204 179.166 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 406' ' ' GLU . . . . . 0.456 ' HA ' ' HB3' ' A' ' 409' ' ' LEU . 45.5 mt-10 -65.33 -23.89 67.12 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.795 -178.253 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.543 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.0 t80 -62.75 -55.07 29.97 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 174.304 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 408' ' ' LEU . . . . . 0.437 HD12 ' N ' ' A' ' 409' ' ' LEU . 2.9 pp -74.58 -24.99 58.99 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.129 179.13 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 409' ' ' LEU . . . . . 0.456 ' HB3' ' HA ' ' A' ' 406' ' ' GLU . 29.2 tp -61.03 -50.15 74.52 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 174.728 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -57.11 -41.11 78.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.025 174.558 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 22.2 t -63.71 -51.67 63.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.163 -178.345 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.593 HD11 ' HB3' ' A' ' 429' ' ' LEU . 4.4 pp -69.1 -19.8 64.06 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -178.148 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 413' ' ' HIS . . . . . 0.4 ' HA ' HD12 ' A' ' 416' ' ' LEU . 3.9 m-70 -68.4 -37.44 80.37 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.098 0.475 . . . . 0.0 110.193 171.776 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -73.27 -20.51 60.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.383 175.011 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 415' ' ' ASP . . . . . 0.591 ' OD2' ' HE3' ' A' ' 425' ' ' LYS . 16.1 t70 -90.21 12.8 16.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.565 0.698 . . . . 0.0 109.741 179.202 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.614 HD21 ' HB2' ' A' ' 425' ' ' LYS . 87.3 mt . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.028 174.361 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 . . . . . 0 N--CA 1.455 -0.217 0 CA-C-O 121.343 0.592 . . . . 0.0 111.414 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 5.5 mp -136.74 -65.53 0.55 Allowed 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.687 0.756 . . . . 0.0 109.579 175.13 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 13.7 m -62.53 -36.88 83.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.739 -1.118 . . . . 0.0 111.66 -174.25 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 425' ' ' LYS . . . . . 0.614 ' HB2' HD21 ' A' ' 416' ' ' LEU . 63.9 mmtt -63.3 -34.18 77.12 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.657 0.265 . . . . 0.0 111.129 -175.013 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 426' ' ' GLU . . . . . 0.634 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 39.4 tt0 -74.45 -45.4 46.56 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -178.432 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -65.0 -30.36 71.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.25 0.547 . . . . 0.0 110.165 176.354 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 428' ' ' ARG . . . . . 0.497 ' O ' HG23 ' A' ' 432' ' ' VAL . 14.4 tpt180 -71.61 -45.05 63.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.353 -179.952 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 3.8 pp -64.33 -35.14 79.9 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.986 -176.017 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -73.23 -32.9 65.03 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 121.318 0.58 . . . . 0.0 109.544 179.246 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.524 ' O ' HG13 ' A' ' 435' ' ' ILE . 42.0 tt0 -65.59 -50.1 66.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.622 174.61 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 428' ' ' ARG . 94.7 t -58.16 -46.07 88.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.385 176.979 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -62.06 -44.96 95.55 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.825 -177.311 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 434' ' ' ARG . . . . . 0.479 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 12.8 ptm180 -69.38 -24.61 63.89 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.734 -176.957 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 435' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 431' ' ' GLU . 84.5 mt -76.82 -57.05 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 121.083 -0.247 . . . . 0.0 110.605 176.456 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 436' ' ' LEU . . . . . 0.523 ' HB3' ' OE1' ' A' ' 405' ' ' GLN . 4.4 pp -58.19 -35.86 72.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.148 -177.24 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 437' ' ' THR . . . . . 0.461 ' O ' ' HG2' ' A' ' 441' ' ' ARG . 32.2 m -71.14 -53.41 14.64 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.632 179.044 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -64.21 -34.99 79.37 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.737 0.304 . . . . 0.0 111.111 -176.691 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 439' ' ' LEU . . . . . 0.539 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 27.4 tp -64.91 -56.16 14.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.557 -177.044 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 440' ' ' LYS . . . . . 0.524 ' HB3' ' CD1' ' A' ' 398' ' ' ILE . 58.0 pttt -63.26 -31.77 73.01 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.51 -178.154 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 441' ' ' ARG . . . . . 0.461 ' HG2' ' O ' ' A' ' 437' ' ' THR . 23.4 mmt180 -70.52 -39.61 73.96 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.942 0.401 . . . . 0.0 110.693 179.208 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -81.64 -6.19 58.77 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.238 179.345 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 443' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 86.9 mt . . . . . 0 C--N 1.33 -0.24 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 179.324 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 395' ' ' GLN . . . . . 0.724 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 27.6 mm-40 . . . . . 0 CA--C 1.518 -0.284 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 . . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -54.83 -29.31 54.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.829 172.619 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.15 -58.31 12.23 Favored Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.232 -179.995 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.487 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -66.25 -31.53 54.02 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.685 0 N-CA-C 110.484 -0.191 . . . . 0.0 110.484 -177.945 . . . . . . . . 3 3 . 1 . 041 nuclear build core ' A' A ' 399' ' ' LYS . . . . . 0.724 ' HG2' ' O ' ' A' ' 395' ' ' GLN . 30.6 mmtp -62.36 -42.51 99.46 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.904 -179.456 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -74.0 -45.43 49.98 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.285 0.564 . . . . 0.0 109.736 178.114 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.51 -43.66 84.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.018 178.098 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 402' ' ' ILE . . . . . 0.61 HG13 HD22 ' A' ' 436' ' ' LEU . 12.7 tt -69.2 -35.19 66.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.078 -174.245 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.54 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 73.6 mtt180 -60.16 -44.47 94.97 Favored 'General case' 0 CA--C 1.521 -0.168 0 C-N-CA 120.069 -0.652 . . . . 0.0 110.055 175.843 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 61.5 mtm-85 -72.51 -40.76 66.59 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.067 178.633 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 405' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -72.92 -32.22 65.16 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -176.9 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 406' ' ' GLU . . . . . 0.628 ' HA ' ' HB3' ' A' ' 409' ' ' LEU . 46.4 mt-10 -83.69 -15.7 47.76 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.279 -0.569 . . . . 0.0 110.267 175.566 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.54 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 6.3 t80 -68.46 -56.45 8.38 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 173.962 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 408' ' ' LEU . . . . . 0.676 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.2 pp -67.64 -27.92 67.28 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.347 176.192 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 409' ' ' LEU . . . . . 0.628 ' HB3' ' HA ' ' A' ' 406' ' ' GLU . 15.0 tp -55.69 -48.42 75.13 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.026 -0.533 . . . . 0.0 109.936 174.976 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -58.84 -42.77 90.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.085 179.532 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 411' ' ' SER . . . . . 0.438 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 12.1 m -57.26 -57.11 14.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.107 177.42 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.676 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 8.0 mt -55.24 -46.29 76.02 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-O 122.001 0.905 . . . . 0.0 110.258 178.126 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -57.76 -49.38 76.76 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 113.82 -1.536 . . . . 0.0 111.195 -177.531 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 414' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 411' ' ' SER . 14.6 ptt180 -75.85 -18.57 59.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.223 -178.014 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -72.94 -10.17 59.51 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.739 -0.209 . . . . 0.0 110.998 177.313 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.533 HD21 ' HB2' ' A' ' 425' ' ' LYS . 82.5 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-O 120.851 0.358 . . . . 0.0 111.172 179.487 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 422' ' ' ASP . . . . . 0.492 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 10.5 t70 . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 . . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.7 mp -105.38 -28.95 10.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.885 0.374 . . . . 0.0 110.608 -179.394 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 424' ' ' SER . . . . . 0.501 ' HA ' ' HG2' ' A' ' 427' ' ' GLU . 73.8 m -73.69 -31.67 63.54 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.908 -174.127 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 425' ' ' LYS . . . . . 0.533 ' HB2' HD21 ' A' ' 416' ' ' LEU . 47.2 mmtm -65.94 -32.89 74.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.032 0.444 . . . . 0.0 109.981 175.266 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 426' ' ' GLU . . . . . 0.515 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 37.1 tt0 -73.59 -46.01 49.77 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.46 -175.699 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 427' ' ' GLU . . . . . 0.501 ' HG2' ' HA ' ' A' ' 424' ' ' SER . 17.2 pt-20 -69.5 -23.81 63.67 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.029 178.646 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -78.54 -50.4 11.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.478 -179.457 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.617 ' HB2' HD12 ' A' ' 409' ' ' LEU . 4.1 pp -57.66 -37.26 73.08 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.017 177.931 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -75.65 -30.18 59.38 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.671 -179.653 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.423 ' O ' HG13 ' A' ' 435' ' ' ILE . 45.1 tt0 -61.35 -55.94 25.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.143 178.302 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.441 HG11 HD11 ' A' ' 408' ' ' LEU . 17.9 m -66.36 -32.77 59.55 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.797 -179.323 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -65.56 -48.5 72.18 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 120.858 0.361 . . . . 0.0 110.249 -178.882 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 434' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -66.72 -28.44 68.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.658 -177.635 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 435' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 431' ' ' GLU . 81.3 mt -75.44 -53.9 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.384 177.989 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 436' ' ' LEU . . . . . 0.61 HD22 HG13 ' A' ' 402' ' ' ILE . 4.5 pp -61.7 -31.33 71.46 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.627 -178.432 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 437' ' ' THR . . . . . 0.677 ' O ' ' HG2' ' A' ' 441' ' ' ARG . 56.9 m -69.67 -60.06 2.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.711 177.212 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -57.58 -37.73 73.68 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-O 120.656 0.265 . . . . 0.0 111.322 -177.472 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 439' ' ' LEU . . . . . 0.434 HD23 ' HB ' ' A' ' 398' ' ' ILE . 37.3 tp -60.89 -58.62 7.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -178.1 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 440' ' ' LYS . . . . . 0.451 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 58.6 pttt -60.7 -34.56 74.56 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.889 0.376 . . . . 0.0 111.032 -176.487 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 441' ' ' ARG . . . . . 0.677 ' HG2' ' O ' ' A' ' 437' ' ' THR . 13.7 mmm180 -68.79 -50.66 48.46 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.856 -176.965 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -70.07 -19.66 63.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.679 0.276 . . . . 0.0 111.259 179.516 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 C--N 1.324 -0.536 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -178.746 . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 . . . . . 0 CA--C 1.514 -0.428 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -67.52 -20.24 65.41 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.481 172.028 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.38 -59.28 8.53 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.473 177.717 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.571 ' HB ' HD23 ' A' ' 439' ' ' LEU . 10.2 tp -69.74 -21.22 24.15 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.687 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 178.259 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 399' ' ' LYS . . . . . 0.777 ' HA ' ' HE3' ' A' ' 399' ' ' LYS . 0.1 OUTLIER -57.23 -63.53 1.19 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.02 0.438 . . . . 0.0 110.27 175.052 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -66.76 -41.3 87.97 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.602 -179.729 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 401' ' ' GLU . . . . . 0.579 ' HB3' HE21 ' A' ' 405' ' ' GLN . 27.4 mt-10 -60.66 -47.9 84.18 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.279 179.486 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 402' ' ' ILE . . . . . 0.431 ' HA ' ' HB2' ' A' ' 405' ' ' GLN . 9.1 tt -64.91 -29.21 46.73 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.37 0 C-N-CA 121.095 -0.242 . . . . 0.0 110.861 -175.003 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.52 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 97.2 mtt180 -59.17 -48.25 82.31 Favored 'General case' 0 CA--C 1.522 -0.115 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 173.037 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 404' ' ' ARG . . . . . 0.475 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 79.4 mtp180 -70.26 -44.27 68.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.077 178.499 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 405' ' ' GLN . . . . . 0.579 HE21 ' HB3' ' A' ' 401' ' ' GLU . 76.1 mt-30 -60.68 -52.92 63.06 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.505 -179.319 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 406' ' ' GLU . . . . . 0.416 ' HG2' HG12 ' A' ' 402' ' ' ILE . 8.9 mm-40 -61.55 -32.37 72.45 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 118.056 0.389 . . . . 0.0 110.321 178.059 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.52 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.4 t80 -61.53 -56.36 20.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.813 -179.396 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 408' ' ' LEU . . . . . 0.646 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.0 pp -72.83 -29.11 62.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.77 178.884 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 409' ' ' LEU . . . . . 0.523 ' N ' HD12 ' A' ' 408' ' ' LEU . 34.0 tp -58.02 -51.62 68.9 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.223 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -62.82 -37.66 87.64 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.965 178.715 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 411' ' ' SER . . . . . 0.611 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 50.1 m -61.68 -52.88 62.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.311 -179.46 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.702 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 3.4 pp -79.63 -14.73 58.6 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.156 -0.618 . . . . 0.0 111.355 -178.998 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 413' ' ' HIS . . . . . 0.507 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 1.5 t60 -73.48 -34.29 65.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.78 0.324 . . . . 0.0 110.366 174.519 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 414' ' ' ARG . . . . . 0.611 ' HG2' ' O ' ' A' ' 411' ' ' SER . 31.7 ptt180 -82.0 -20.42 38.49 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 176.259 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -81.1 26.7 0.43 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.488 179.269 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.568 HD21 ' HB3' ' A' ' 425' ' ' LYS . 88.1 mt . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.6 175.355 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 422' ' ' ASP . . . . . 0.409 ' OD1' ' HB2' ' A' ' 425' ' ' LYS . 9.8 t70 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 . . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 91.4 mt -106.99 -41.15 5.26 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.901 0.381 . . . . 0.0 111.266 -177.482 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 424' ' ' SER . . . . . 0.441 ' HA ' ' OE2' ' A' ' 427' ' ' GLU . 74.5 m -69.32 -24.7 63.96 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.518 -177.143 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 425' ' ' LYS . . . . . 0.702 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 0.1 OUTLIER -59.56 -32.62 70.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.463 0.649 . . . . 0.0 109.475 174.075 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 426' ' ' GLU . . . . . 0.612 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 44.6 tt0 -81.63 -35.31 30.18 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.966 -1.016 . . . . 0.0 109.85 -177.679 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 427' ' ' GLU . . . . . 0.441 ' OE2' ' HA ' ' A' ' 424' ' ' SER . 32.1 mt-10 -63.0 -30.4 71.57 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.748 0.785 . . . . 0.0 109.031 173.316 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 428' ' ' ARG . . . . . 0.444 ' O ' HG23 ' A' ' 432' ' ' VAL . 80.6 mtt180 -80.81 -40.78 24.41 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.704 -177.01 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.6 pp -60.82 -31.87 71.26 Favored 'General case' 0 CA--C 1.52 -0.191 0 C-N-CA 120.405 -0.518 . . . . 0.0 109.972 174.936 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 430' ' ' TRP . . . . . 0.449 ' N ' HD12 ' A' ' 429' ' ' LEU . 3.3 t90 -73.67 -35.76 65.26 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.169 178.79 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -59.99 -49.6 77.05 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.57 175.549 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 428' ' ' ARG . 63.7 t -58.37 -48.68 84.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.74 176.948 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -61.99 -44.68 96.22 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.856 -174.373 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 434' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -70.65 -30.07 66.6 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.033 -175.476 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 435' ' ' ILE . . . . . . . . . . . . . 77.2 mt -70.47 -53.27 23.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.02 177.961 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 436' ' ' LEU . . . . . 0.465 HD12 ' N ' ' A' ' 437' ' ' THR . 4.4 pp -62.4 -33.02 73.96 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.709 0.29 . . . . 0.0 110.766 179.888 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 437' ' ' THR . . . . . 0.465 ' N ' HD12 ' A' ' 436' ' ' LEU . 100.0 m -65.87 -59.23 4.07 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.665 176.293 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -56.59 -37.96 71.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.746 0.307 . . . . 0.0 111.784 -176.463 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 439' ' ' LEU . . . . . 0.571 HD23 ' HB ' ' A' ' 398' ' ' ILE . 24.8 tp -73.19 -56.31 5.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.463 -175.547 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 440' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' A' ' 436' ' ' LEU . 61.1 pttt -67.23 -31.45 71.82 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.26 -173.925 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 42.1 mmt180 -72.06 -43.88 64.2 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.056 -178.752 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -84.14 -11.76 56.07 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -177.267 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 C--N 1.326 -0.436 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.878 . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 395' ' ' GLN . . . . . 0.455 ' O ' ' HD3' ' A' ' 399' ' ' LYS . 24.6 mm-40 . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 120.911 0.386 . . . . 0.0 110.044 . . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -64.66 -21.62 66.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.131 174.446 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.01 -59.72 8.18 Favored Glycine 0 N--CA 1.445 -0.714 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.826 178.803 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.502 ' O ' ' HB ' ' A' ' 402' ' ' ILE . 0.0 OUTLIER -66.93 -28.64 43.64 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.873 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 -179.46 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 399' ' ' LYS . . . . . 0.693 ' O ' HG22 ' A' ' 402' ' ' ILE . 1.1 mptm? -64.3 -45.25 88.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.795 0.331 . . . . 0.0 111.267 178.659 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -70.88 -42.99 69.3 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.019 177.698 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -73.37 -23.38 60.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.779 -177.619 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 402' ' ' ILE . . . . . 0.693 HG22 ' O ' ' A' ' 399' ' ' LYS . 9.7 tp -71.41 -37.32 64.45 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.262 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 176.995 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.666 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 70.2 mtp180 -60.88 -46.62 89.9 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 174.46 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 55.3 mtt-85 -62.7 -52.24 64.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.156 179.148 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 405' ' ' GLN . . . . . 0.635 ' O ' ' HB2' ' A' ' 409' ' ' LEU . 41.8 mt-30 -68.81 -43.59 75.27 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.287 -174.204 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -73.99 -16.09 61.08 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.166 -0.614 . . . . 0.0 110.33 179.672 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.666 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 14.5 t80 -68.67 -60.84 2.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.229 177.135 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 408' ' ' LEU . . . . . 0.573 HD23 ' O ' ' A' ' 405' ' ' GLN . 2.1 pt? -73.23 -26.07 60.98 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.249 -179.2 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 409' ' ' LEU . . . . . 0.635 ' HB2' ' O ' ' A' ' 405' ' ' GLN . 5.5 tt -58.04 -45.63 86.68 Favored 'General case' 0 C--O 1.219 -0.512 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 174.848 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -59.04 -43.84 91.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.756 176.081 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 411' ' ' SER . . . . . 0.456 ' O ' ' HG3' ' A' ' 414' ' ' ARG . 22.9 t -62.6 -57.77 9.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.738 179.193 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.59 HD22 ' HB3' ' A' ' 428' ' ' ARG . 4.3 pp -64.91 -20.68 66.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.956 0.408 . . . . 0.0 111.387 -179.717 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 15.9 t-160 -73.53 -40.88 63.67 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 175.412 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 414' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' A' ' 411' ' ' SER . 4.2 ppt_? -79.51 -3.71 48.0 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.173 0.511 . . . . 0.0 110.458 177.429 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -89.68 9.98 25.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.049 171.378 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 97.2 mt . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.057 175.898 . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 422' ' ' ASP . . . . . 0.574 ' CG ' ' HD3' ' A' ' 425' ' ' LYS . 10.3 t70 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 . . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 88.3 mt -105.24 -28.11 11.14 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.047 0.451 . . . . 0.0 111.062 -176.779 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 424' ' ' SER . . . . . 0.406 ' O ' ' HG3' ' A' ' 428' ' ' ARG . 71.5 m -79.42 -23.54 43.13 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.206 -0.452 . . . . 0.0 112.208 -173.131 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 425' ' ' LYS . . . . . 0.574 ' HD3' ' CG ' ' A' ' 422' ' ' ASP . 10.2 mptt -60.96 -33.07 72.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.491 0.662 . . . . 0.0 109.85 171.702 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 426' ' ' GLU . . . . . 0.601 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 45.2 tt0 -75.28 -39.79 59.34 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.565 179.808 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.22 -33.7 75.07 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 174.497 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 428' ' ' ARG . . . . . 0.59 ' HB3' HD22 ' A' ' 412' ' ' LEU . 27.3 mtp180 -71.37 -45.87 61.8 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.183 -176.447 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.5 pp -62.23 -31.68 72.26 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.133 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 430' ' ' TRP . . . . . 0.414 ' N ' HD12 ' A' ' 429' ' ' LEU . 3.0 t90 -75.44 -31.25 60.26 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.731 179.219 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 9.6 tp10 -64.26 -57.4 9.56 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.813 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.543 ' O ' ' HG ' ' A' ' 436' ' ' LEU . 3.9 m -67.17 -30.3 48.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.366 178.921 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 433' ' ' GLN . . . . . 0.545 ' HB2' ' O ' ' A' ' 429' ' ' LEU . 47.4 tt0 -59.25 -48.98 79.6 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-O 121.017 0.437 . . . . 0.0 109.927 -179.419 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 434' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 35.4 ptt180 -71.79 -29.12 64.12 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.522 -176.131 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 435' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 431' ' ' GLU . 74.2 mt -74.03 -59.67 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 121.206 -0.198 . . . . 0.0 111.399 179.639 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 436' ' ' LEU . . . . . 0.557 HD12 ' N ' ' A' ' 437' ' ' THR . 4.6 pp -57.84 -35.9 71.55 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.485 0.183 . . . . 0.0 111.486 -179.42 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 437' ' ' THR . . . . . 0.557 ' N ' HD12 ' A' ' 436' ' ' LEU . 93.8 m -70.56 -50.77 33.94 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.027 179.775 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -65.31 -36.42 83.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.879 0.371 . . . . 0.0 110.776 -176.623 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 439' ' ' LEU . . . . . 0.556 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 27.1 tp -61.99 -57.57 11.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.499 -177.929 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 440' ' ' LYS . . . . . 0.474 ' HB3' HG13 ' A' ' 398' ' ' ILE . 51.9 pttt -62.58 -30.45 71.34 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.759 0.314 . . . . 0.0 111.229 -178.2 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -70.86 -49.56 44.78 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.52 -178.67 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -70.66 -25.81 63.17 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.563 -179.667 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 443' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 64.0 mt . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -177.638 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 . . . . . 0 C--O 1.238 0.482 0 CA-C-O 121.608 0.718 . . . . 0.0 109.149 . . . . . . . . . 0 0 . 1 . 044 nuclear build core ' A' A ' 396' ' ' ALA . . . . . 0.584 ' HA ' ' HB2' ' A' ' 399' ' ' LYS . . . -63.31 -13.18 35.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.897 173.977 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -59.43 -54.7 35.59 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.351 -0.7 . . . . 0.0 111.351 177.093 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.615 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -70.79 -34.55 56.77 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.713 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.112 177.425 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 399' ' ' LYS . . . . . 0.584 ' HB2' ' HA ' ' A' ' 396' ' ' ALA . 1.7 mptm? -57.76 -48.05 80.73 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.857 -179.918 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 400' ' ' GLU . . . . . 0.514 ' HA ' ' HD3' ' A' ' 403' ' ' ARG . 0.5 OUTLIER -70.0 -47.99 59.96 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.169 0.509 . . . . 0.0 109.904 -179.053 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -64.72 -36.65 84.98 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.818 -179.721 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 402' ' ' ILE . . . . . 0.707 HG13 HD13 ' A' ' 436' ' ' LEU . 13.9 tt -67.03 -29.73 47.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 117.849 0.295 . . . . 0.0 110.512 -178.42 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.57 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 26.8 mtp85 -60.15 -47.48 85.74 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 171.784 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 65.3 mtt180 -63.4 -49.93 71.87 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.772 176.487 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 405' ' ' GLN . . . . . 0.509 ' HG3' HD21 ' A' ' 436' ' ' LEU . 12.2 mm100 -65.59 -52.22 53.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.891 -1.05 . . . . 0.0 111.798 -173.924 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 406' ' ' GLU . . . . . 0.418 ' HG2' HG12 ' A' ' 402' ' ' ILE . 21.1 mm-40 -60.83 -29.37 69.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.752 0.31 . . . . 0.0 110.361 178.275 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.57 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.2 t80 -62.36 -55.47 27.67 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.037 0.446 . . . . 0.0 110.046 178.167 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 408' ' ' LEU . . . . . 0.498 HD12 ' N ' ' A' ' 409' ' ' LEU . 2.7 pp -73.55 -29.49 62.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.247 179.994 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 409' ' ' LEU . . . . . 0.498 ' N ' HD12 ' A' ' 408' ' ' LEU . 7.0 tt -62.49 -47.43 84.01 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 176.078 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -59.43 -38.06 79.71 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.591 175.326 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 411' ' ' SER . . . . . 0.781 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 38.7 m -65.26 -55.47 18.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.962 179.952 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.577 ' HA ' ' OD2' ' A' ' 415' ' ' ASP . 4.3 pp -69.98 -17.76 63.3 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 121.834 -0.541 . . . . 0.0 111.217 179.041 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -74.49 -41.51 60.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.377 175.343 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 414' ' ' ARG . . . . . 0.781 ' HG2' ' O ' ' A' ' 411' ' ' SER . 27.2 ptt180 -69.27 -21.23 63.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.078 -179.129 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 415' ' ' ASP . . . . . 0.577 ' OD2' ' HA ' ' A' ' 412' ' ' LEU . 57.3 m-20 -58.79 -29.18 66.64 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.786 174.177 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 86.5 mt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.735 -176.44 . . . . . . . . 0 0 . 1 . 044 nuclear build core ' A' A ' 422' ' ' ASP . . . . . 0.435 ' HB3' ' HD3' ' A' ' 425' ' ' LYS . 1.1 m-20 . . . . . 0 CA--C 1.515 -0.394 0 CA-C-O 121.361 0.6 . . . . 0.0 110.553 . . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 82.7 mt -74.05 -29.82 62.1 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.448 -178.171 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 424' ' ' SER . . . . . 0.564 ' O ' ' HB2' ' A' ' 428' ' ' ARG . 22.9 p -63.37 -38.11 89.89 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.801 -179.214 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 425' ' ' LYS . . . . . 0.461 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 5.1 mptp? -62.84 -42.41 99.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.187 0.518 . . . . 0.0 111.016 178.949 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 426' ' ' GLU . . . . . 0.551 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 9.8 tp10 -65.78 -51.28 60.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.272 -176.154 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.28 -23.16 66.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.638 178.506 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 428' ' ' ARG . . . . . 0.564 ' HB2' ' O ' ' A' ' 424' ' ' SER . 3.4 tpp180 -75.71 -49.84 17.09 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.493 -177.436 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.2 pp -60.46 -34.96 74.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.91 0.386 . . . . 0.0 110.458 -179.533 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -72.07 -31.27 65.95 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.284 179.912 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.606 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 18.8 tp10 -71.43 -43.76 66.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.751 176.502 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 428' ' ' ARG . 58.4 t -58.96 -44.86 92.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.163 0.506 . . . . 0.0 110.147 175.709 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -64.81 -42.78 94.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.156 -177.194 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 434' ' ' ARG . . . . . 0.606 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 3.6 ptm180 -67.49 -34.93 78.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.715 -177.326 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 435' ' ' ILE . . . . . . . . . . . . . 77.0 mt -65.76 -48.85 80.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-O 120.795 0.331 . . . . 0.0 110.129 176.129 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 436' ' ' LEU . . . . . 0.707 HD13 HG13 ' A' ' 402' ' ' ILE . 96.4 mt -57.18 -48.38 78.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.69 177.405 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 32.6 m -58.5 -49.08 78.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.291 -179.974 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.72 -46.4 89.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.963 0.411 . . . . 0.0 110.833 -179.779 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 439' ' ' LEU . . . . . 0.407 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 44.6 tp -64.29 -53.5 47.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.578 -177.172 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 440' ' ' LYS . . . . . 0.497 ' HB3' HG13 ' A' ' 398' ' ' ILE . 19.7 ptmt -60.46 -40.3 90.7 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -173.734 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 -77.65 -29.12 51.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.866 -175.416 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -75.55 -28.38 59.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.851 0.358 . . . . 0.0 110.65 175.718 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 443' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 89.8 mt . . . . . 0 C--N 1.324 -0.521 0 CA-C-O 120.989 0.423 . . . . 0.0 110.963 178.528 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 395' ' ' GLN . . . . . 0.438 ' O ' ' HB2' ' A' ' 399' ' ' LYS . 9.3 mm-40 . . . . . 0 CA--C 1.523 -0.089 0 CA-C-O 120.741 0.305 . . . . 0.0 110.391 . . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -63.14 -17.8 62.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.973 175.533 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.72 -60.2 8.1 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 111.509 -0.636 . . . . 0.0 111.509 178.355 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.657 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -72.27 -30.04 34.05 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.689 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 176.417 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 399' ' ' LYS . . . . . 0.86 ' HA ' ' HE2' ' A' ' 399' ' ' LYS . 0.0 OUTLIER -56.66 -52.82 63.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.72 0.295 . . . . 0.0 110.9 -177.69 . . . . . . . . 3 3 . 1 . 045 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -72.49 -41.99 65.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.742 0.306 . . . . 0.0 110.529 -179.57 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 401' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 29.1 mm-40 -56.62 -49.57 74.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.213 177.379 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 402' ' ' ILE . . . . . 0.657 HD12 HD11 ' A' ' 398' ' ' ILE . 14.2 tt -66.37 -26.49 37.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.028 -175.429 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.657 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 97.5 mtt180 -58.36 -51.42 69.89 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 171.822 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -66.96 -49.52 65.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.4 179.295 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 405' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 76.2 mt-30 -60.44 -50.43 73.62 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.992 -175.908 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 406' ' ' GLU . . . . . 0.631 ' HA ' ' HB3' ' A' ' 409' ' ' LEU . 36.0 mt-10 -69.73 -25.44 63.84 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.409 -0.516 . . . . 0.0 111.052 179.944 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.582 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.7 t80 -64.84 -51.79 60.18 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 176.858 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 408' ' ' LEU . . . . . 0.721 HD11 HG21 ' A' ' 432' ' ' VAL . 3.6 pp -72.73 -31.59 65.07 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.554 177.119 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 409' ' ' LEU . . . . . 0.631 ' HB3' ' HA ' ' A' ' 406' ' ' GLU . 56.5 tp -57.56 -50.66 72.37 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.86 175.634 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 410' ' ' ASN . . . . . 0.437 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 11.4 t30 -62.83 -33.74 75.86 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.783 178.612 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 40.2 m -64.83 -49.11 71.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 177.627 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.705 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 9.6 mt -59.12 -48.62 80.95 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-O 122.052 0.93 . . . . 0.0 109.586 175.495 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 413' ' ' HIS . . . . . 0.42 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 1.6 t-160 -57.92 -43.38 86.23 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 113.619 -1.628 . . . . 0.0 111.722 -175.391 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 414' ' ' ARG . . . . . 0.437 ' HG2' ' O ' ' A' ' 410' ' ' ASN . 17.0 ptm180 -83.53 -13.43 54.54 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 121.149 -0.221 . . . . 0.0 111.276 -178.652 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -72.71 -17.27 61.64 Favored 'General case' 0 C--O 1.219 -0.511 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 -178.906 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.486 HD21 ' HB2' ' A' ' 425' ' ' LYS . 26.2 mt . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.426 178.308 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 422' ' ' ASP . . . . . 0.518 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 10.1 t70 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 121.114 0.483 . . . . 0.0 109.872 . . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 74.5 mt -86.36 -17.94 33.16 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -174.75 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 424' ' ' SER . . . . . 0.411 ' O ' ' HB2' ' A' ' 428' ' ' ARG . 72.7 m -66.77 -48.69 68.25 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.426 178.489 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 425' ' ' LYS . . . . . 0.518 ' HG2' ' OD1' ' A' ' 422' ' ' ASP . 22.8 mmtm -66.03 -35.9 81.81 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 120.989 0.423 . . . . 0.0 109.866 179.113 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 426' ' ' GLU . . . . . 0.61 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 9.4 tp10 -59.82 -57.58 12.26 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.756 -174.452 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -74.95 -20.51 59.65 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.547 -176.717 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 428' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' A' ' 424' ' ' SER . 19.8 tpt180 -77.92 -46.72 20.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.535 179.381 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.0 pp -57.9 -37.85 74.75 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 177.503 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -72.19 -31.3 65.77 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 121.105 0.479 . . . . 0.0 110.514 179.681 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.667 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 32.5 tt0 -72.28 -47.72 47.9 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.625 179.531 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.721 HG21 HD11 ' A' ' 408' ' ' LEU . 12.1 p -69.44 -28.91 39.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.94 0.4 . . . . 0.0 110.228 179.309 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -64.78 -44.31 90.42 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.222 177.868 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 434' ' ' ARG . . . . . 0.667 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 24.9 ptt180 -69.29 -25.85 64.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.335 -178.416 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 435' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 431' ' ' GLU . 81.1 mt -70.01 -59.84 3.08 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.111 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.839 176.853 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 436' ' ' LEU . . . . . 0.429 ' O ' ' HG2' ' A' ' 440' ' ' LYS . 4.4 pp -56.9 -31.91 65.37 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.46 0.172 . . . . 0.0 111.097 -179.454 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 437' ' ' THR . . . . . 0.72 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 64.1 m -68.0 -57.15 6.63 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 121.186 -0.205 . . . . 0.0 110.983 177.355 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.61 -38.75 88.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.908 0.385 . . . . 0.0 110.34 -178.746 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 439' ' ' LEU . . . . . 0.486 ' HG ' ' HB ' ' A' ' 398' ' ' ILE . 30.9 tp -60.03 -54.06 50.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.117 -178.275 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 440' ' ' LYS . . . . . 0.72 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 52.0 pttt -64.55 -30.89 71.92 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.494 -176.895 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 441' ' ' ARG . . . . . 0.522 ' HG2' ' O ' ' A' ' 437' ' ' THR . 24.4 mmt180 -68.22 -52.72 30.97 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.296 -178.566 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -76.97 -16.35 59.36 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -178.329 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 C--N 1.327 -0.392 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.273 179.067 . . . . . . . . 0 0 . 1 . 046 nuclear build core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 . . . . . 0 C--O 1.233 0.198 0 CA-C-O 121.408 0.623 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 046 nuclear build core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -67.25 -20.32 65.65 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 168.767 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.28 -57.54 14.9 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.508 176.572 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.45 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -65.5 -30.85 51.44 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.659 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.021 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 399' ' ' LYS . . . . . 0.518 ' O ' HG22 ' A' ' 402' ' ' ILE . 1.0 OUTLIER -57.56 -52.49 65.19 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -177.043 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -71.32 -40.98 70.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.969 0.414 . . . . 0.0 110.808 178.938 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -61.39 -41.71 97.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.958 178.87 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 402' ' ' ILE . . . . . 0.544 ' HA ' ' HB2' ' A' ' 405' ' ' GLN . 14.1 tt -70.03 -29.05 38.56 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.472 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.708 -176.708 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.576 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 93.7 mtt180 -60.95 -44.6 97.05 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 173.454 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -71.1 -43.2 68.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.544 177.59 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 405' ' ' GLN . . . . . 0.544 ' HB2' ' HA ' ' A' ' 402' ' ' ILE . 74.3 mt-30 -65.56 -50.91 63.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.843 -177.853 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -62.9 -31.45 72.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.8 0.333 . . . . 0.0 110.256 177.924 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.576 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.0 t80 -59.67 -55.37 35.18 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.898 177.242 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 408' ' ' LEU . . . . . 0.665 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.4 pp -73.08 -32.29 64.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.295 -179.419 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 409' ' ' LEU . . . . . 0.516 ' N ' HD12 ' A' ' 408' ' ' LEU . 7.2 tt -60.71 -50.97 71.36 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 177.873 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 410' ' ' ASN . . . . . 0.57 ' O ' ' HG3' ' A' ' 414' ' ' ARG . 6.2 t30 -57.37 -44.19 84.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.123 177.497 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 45.7 m -63.0 -55.75 23.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.639 -178.666 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 4.2 pp -71.35 -14.2 62.11 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 120.93 0.395 . . . . 0.0 110.996 -178.551 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -71.77 -32.06 67.28 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 170.78 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 414' ' ' ARG . . . . . 0.57 ' HG3' ' O ' ' A' ' 410' ' ' ASN . 71.9 mtp180 -82.85 -14.96 53.34 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.292 178.079 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 415' ' ' ASP . . . . . 0.476 ' HB2' ' O ' ' A' ' 412' ' ' LEU . 0.7 OUTLIER -61.26 -18.45 58.45 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.712 171.79 . . . . . . . . 3 3 . 1 . 046 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.668 HD21 ' HB2' ' A' ' 425' ' ' LYS . 36.7 mt . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.813 -178.345 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 422' ' ' ASP . . . . . 0.528 ' CG ' ' HG2' ' A' ' 425' ' ' LYS . 14.3 t0 . . . . . 0 N--CA 1.451 -0.381 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 . . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.4 mp -102.38 -18.91 15.18 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.125 0.488 . . . . 0.0 110.224 -179.572 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 424' ' ' SER . . . . . 0.458 ' HA ' ' OE2' ' A' ' 427' ' ' GLU . 68.3 m -76.81 -30.37 56.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.851 -174.867 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 425' ' ' LYS . . . . . 0.668 ' HB2' HD21 ' A' ' 416' ' ' LEU . 28.5 mmtp -64.09 -30.98 72.02 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 120.957 0.408 . . . . 0.0 109.905 175.281 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 426' ' ' GLU . . . . . 0.572 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 40.9 tt0 -73.4 -42.29 62.28 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -179.365 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 427' ' ' GLU . . . . . 0.458 ' OE2' ' HA ' ' A' ' 424' ' ' SER . 28.2 mt-10 -62.15 -33.44 74.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.652 173.644 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 428' ' ' ARG . . . . . 0.558 ' O ' HG12 ' A' ' 432' ' ' VAL . 42.4 ttt180 -75.47 -43.57 48.7 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.744 -175.083 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.6 pp -63.07 -29.53 70.88 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-O 120.776 0.322 . . . . 0.0 110.138 178.801 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -77.21 -30.49 54.68 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 120.251 -0.579 . . . . 0.0 110.239 177.569 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.557 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 24.8 tt0 -69.44 -51.66 34.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.376 179.793 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.558 HG12 ' O ' ' A' ' 428' ' ' ARG . 1.5 p -61.07 -36.73 74.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.231 176.593 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -64.54 -49.03 72.85 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.843 0.354 . . . . 0.0 110.716 179.166 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 434' ' ' ARG . . . . . 0.557 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 29.5 ptt180 -65.23 -23.5 67.09 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.711 -177.021 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 435' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 431' ' ' GLU . 88.4 mt -79.85 -55.24 9.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.882 177.173 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 436' ' ' LEU . . . . . 0.495 ' O ' ' HG2' ' A' ' 440' ' ' LYS . 4.5 pp -61.06 -31.61 71.27 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 121.157 -0.217 . . . . 0.0 110.774 -178.254 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 437' ' ' THR . . . . . 0.441 ' N ' HD12 ' A' ' 436' ' ' LEU . 70.1 m -69.61 -58.72 3.59 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.512 177.399 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.58 -33.82 73.27 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 120.757 0.313 . . . . 0.0 111.119 -177.283 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 439' ' ' LEU . . . . . 0.487 ' O ' HD23 ' A' ' 443' ' ' LEU . 24.8 tp -63.79 -60.74 2.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.792 -177.786 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 440' ' ' LYS . . . . . 0.495 ' HG2' ' O ' ' A' ' 436' ' ' LEU . 58.1 pttt -63.97 -33.64 76.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.917 0.389 . . . . 0.0 111.241 -176.648 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -68.46 -55.68 10.99 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.337 -179.369 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -67.63 -28.06 67.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.719 0.295 . . . . 0.0 111.373 -178.987 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 443' ' ' LEU . . . . . 0.487 HD23 ' O ' ' A' ' 439' ' ' LEU . 4.3 mm? . . . . . 0 C--N 1.324 -0.532 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.464 -179.577 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 395' ' ' GLN . . . . . 0.626 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 . . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -63.45 -14.1 47.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.48 174.538 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.68 -59.98 8.88 Favored Glycine 0 N--CA 1.441 -1.009 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 177.966 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.598 ' HB ' HD23 ' A' ' 439' ' ' LEU . 0.0 OUTLIER -64.92 -32.56 58.74 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.677 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.302 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 399' ' ' LYS . . . . . 0.626 ' HG2' ' O ' ' A' ' 395' ' ' GLN . 32.7 mmtp -58.44 -52.65 64.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.925 0.393 . . . . 0.0 110.914 179.245 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 400' ' ' GLU . . . . . 0.683 ' HG3' HH21 ' A' ' 403' ' ' ARG . 44.0 tt0 -70.85 -44.88 65.53 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.764 0.316 . . . . 0.0 110.412 -179.207 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -62.98 -40.97 99.34 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 -178.781 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 402' ' ' ILE . . . . . 0.734 HG13 HD22 ' A' ' 436' ' ' LEU . 12.0 tt -66.88 -33.41 63.22 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.287 0 C-N-CA 121.244 -0.182 . . . . 0.0 110.655 -178.035 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.683 HH21 ' HG3' ' A' ' 400' ' ' GLU . 77.5 mtm180 -58.06 -48.54 79.8 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 175.341 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 404' ' ' ARG . . . . . 0.441 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 83.7 mtp180 -75.93 -37.86 58.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.627 -177.975 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 405' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -71.13 -43.25 67.99 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.544 -178.678 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -68.22 -27.71 66.61 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 174.933 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.6 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.5 t80 -62.31 -54.06 46.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.9 176.949 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 408' ' ' LEU . . . . . 0.657 HD11 HG11 ' A' ' 432' ' ' VAL . 3.3 pp -74.48 -24.22 58.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 178.821 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 409' ' ' LEU . . . . . 0.447 ' N ' HD12 ' A' ' 408' ' ' LEU . 8.5 tt -65.49 -43.76 89.2 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 174.391 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -58.81 -43.72 90.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.237 172.54 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 411' ' ' SER . . . . . 0.464 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 34.1 t -59.74 -53.54 56.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.082 179.375 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.816 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 4.4 pp -67.73 -24.43 65.37 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 120.439 -0.504 . . . . 0.0 111.3 -179.157 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 413' ' ' HIS . . . . . 0.417 ' N ' HD12 ' A' ' 412' ' ' LEU . 1.4 m80 -68.75 -44.85 72.9 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.529 0.204 . . . . 0.0 111.431 173.892 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 414' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 411' ' ' SER . 16.5 ptp180 -72.73 -10.19 59.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.227 0.537 . . . . 0.0 110.421 178.069 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.77 13.5 34.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.814 174.553 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 412' ' ' LEU . 54.0 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.251 170.348 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 422' ' ' ASP . . . . . 0.444 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 10.1 t70 . . . . . 0 C--O 1.232 0.133 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 78.6 mt -113.73 -35.54 5.14 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-O 121.356 0.598 . . . . 0.0 110.472 179.179 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 4.4 m -59.37 -40.05 85.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.876 -175.885 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 425' ' ' LYS . . . . . 0.816 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 0.3 OUTLIER -56.92 -33.68 67.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.96 -179.785 . . . . . . . . 3 3 . 1 . 047 nuclear build core ' A' A ' 426' ' ' GLU . . . . . 0.458 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 37.1 tt0 -74.66 -44.87 48.22 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -177.018 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -64.8 -30.29 71.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.484 0.659 . . . . 0.0 110.02 176.245 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -76.21 -40.86 51.16 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.873 -178.423 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.81 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.4 pp -64.95 -32.35 74.02 Favored 'General case' 0 CA--C 1.513 -0.451 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.835 178.776 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 430' ' ' TRP . . . . . 0.53 ' N ' HD12 ' A' ' 429' ' ' LEU . 1.5 t90 -78.77 -27.77 44.67 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 120.376 -0.529 . . . . 0.0 110.406 179.624 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.454 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 44.1 tt0 -62.58 -57.0 12.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.378 179.272 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.657 HG11 HD11 ' A' ' 408' ' ' LEU . 33.4 m -68.39 -32.14 54.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.039 179.883 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -65.89 -49.94 66.27 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.241 -179.778 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 434' ' ' ARG . . . . . 0.454 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 14.8 ptm180 -63.14 -33.86 76.37 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.793 -176.655 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 435' ' ' ILE . . . . . . . . . . . . . 66.2 mt -66.8 -55.29 18.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.919 179.307 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 436' ' ' LEU . . . . . 0.734 HD22 HG13 ' A' ' 402' ' ' ILE . 4.5 pp -63.61 -32.62 74.15 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.415 -178.502 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 437' ' ' THR . . . . . 0.812 ' HA ' ' HE3' ' A' ' 440' ' ' LYS . 90.0 m -66.91 -55.71 13.46 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.712 178.07 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.72 -41.99 98.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.336 -175.795 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 439' ' ' LEU . . . . . 0.598 HD23 ' HB ' ' A' ' 398' ' ' ILE . 45.7 tp -59.9 -59.4 5.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.323 -177.606 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 440' ' ' LYS . . . . . 0.812 ' HE3' ' HA ' ' A' ' 437' ' ' THR . 18.9 pttp -61.93 -32.15 72.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.687 0.28 . . . . 0.0 111.508 -174.488 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 -75.32 -47.93 25.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.983 -178.137 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -74.57 -24.16 58.87 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.516 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 8.5 tt . . . . . 0 C--N 1.326 -0.439 0 CA-C-O 120.715 0.293 . . . . 0.0 111.133 -176.954 . . . . . . . . 0 0 . 1 . 048 nuclear build core ' A' A ' 395' ' ' GLN . . . . . 0.593 ' HA ' HD21 ' A' ' 443' ' ' LEU . 24.9 tp60 . . . . . 0 C--O 1.24 0.558 0 CA-C-O 121.343 0.592 . . . . 0.0 109.643 . . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 396' ' ' ALA . . . . . 0.508 ' HA ' ' HB2' ' A' ' 399' ' ' LYS . . . -66.75 -9.8 40.49 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.887 176.373 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.08 -64.73 3.44 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 178.679 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.554 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -66.49 -26.09 36.76 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.312 . . . . . . . . 3 3 . 1 . 048 nuclear build core ' A' A ' 399' ' ' LYS . . . . . 0.508 ' HB2' ' HA ' ' A' ' 396' ' ' ALA . 62.3 mmtt -62.4 -52.15 64.71 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.991 179.152 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -68.64 -44.82 73.36 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.764 -0.774 . . . . 0.0 109.647 176.22 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -63.75 -34.34 77.66 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.912 -176.699 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 402' ' ' ILE . . . . . 0.489 HG22 ' O ' ' A' ' 399' ' ' LYS . 11.2 tp -69.07 -39.68 79.84 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.307 0 CA-C-N 118.276 0.489 . . . . 0.0 110.192 179.279 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.588 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 83.3 mtp180 -59.98 -41.09 91.27 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 120.982 0.42 . . . . 0.0 109.928 176.255 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 404' ' ' ARG . . . . . 0.416 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 54.7 mtp180 -78.88 -38.93 36.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.575 -176.726 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 405' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -73.89 -40.71 63.0 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 122.464 -0.148 . . . . 0.0 110.979 -179.677 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -66.83 -29.2 69.07 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.336 -0.546 . . . . 0.0 109.678 174.449 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.588 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.8 t80 -62.96 -55.47 25.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.527 176.504 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 408' ' ' LEU . . . . . 0.52 HD12 ' N ' ' A' ' 409' ' ' LEU . 3.1 pp -70.4 -31.64 68.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.258 179.272 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 409' ' ' LEU . . . . . 0.52 ' N ' HD12 ' A' ' 408' ' ' LEU . 17.4 tp -58.88 -49.93 75.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.199 0.523 . . . . 0.0 109.631 175.291 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -61.87 -39.81 93.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.021 177.331 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 52.5 m -64.7 -55.2 21.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.545 -179.471 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.798 HD11 ' HB3' ' A' ' 429' ' ' LEU . 4.4 pp -65.87 -22.9 66.56 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.677 0.275 . . . . 0.0 111.089 -178.326 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 413' ' ' HIS . . . . . 0.418 ' N ' HD12 ' A' ' 412' ' ' LEU . 22.7 m170 -67.44 -34.96 78.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.049 0.452 . . . . 0.0 110.123 172.384 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 53.4 mtm180 -71.45 -26.74 62.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.42 176.373 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -80.05 4.81 15.92 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.891 0.377 . . . . 0.0 110.714 175.168 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 412' ' ' LEU . 75.7 mt . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.527 176.847 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 422' ' ' ASP . . . . . 0.6 ' CG ' ' HD3' ' A' ' 425' ' ' LYS . 9.9 t0 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 . . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 80.0 mt -87.66 -17.57 31.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.742 -176.716 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 47.4 m -74.35 -38.94 63.08 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.72 -176.183 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 425' ' ' LYS . . . . . 0.6 ' HD3' ' CG ' ' A' ' 422' ' ' ASP . 11.9 mptt -60.31 -33.33 72.22 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 120.722 0.296 . . . . 0.0 110.962 177.907 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 426' ' ' GLU . . . . . 0.661 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 40.4 mt-10 -71.64 -48.42 47.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.712 -177.052 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -66.19 -28.98 69.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.151 0.501 . . . . 0.0 110.405 175.915 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -75.12 -40.75 59.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.857 -177.41 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.798 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.3 pp -63.07 -37.96 89.28 Favored 'General case' 0 CA--C 1.513 -0.479 0 C-N-CA 120.643 -0.423 . . . . 0.0 109.888 178.993 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 4.3 t90 -73.71 -26.84 60.89 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.52 179.724 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.601 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 38.9 tt0 -65.29 -52.53 53.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.047 177.798 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 18.6 m -69.85 -33.7 57.07 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.422 179.127 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -62.36 -45.64 92.28 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 120.845 0.355 . . . . 0.0 110.258 179.348 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 434' ' ' ARG . . . . . 0.601 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 37.6 ptt180 -68.14 -28.09 67.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.066 -179.02 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 435' ' ' ILE . . . . . 0.514 HG13 ' O ' ' A' ' 431' ' ' GLU . 82.8 mt -72.91 -58.8 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 121.112 -0.235 . . . . 0.0 110.871 177.33 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 436' ' ' LEU . . . . . 0.44 HD12 ' N ' ' A' ' 437' ' ' THR . 4.1 pp -58.15 -35.43 71.53 Favored 'General case' 0 C--N 1.333 -0.135 0 O-C-N 123.073 0.233 . . . . 0.0 110.818 -177.604 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 437' ' ' THR . . . . . 0.44 ' N ' HD12 ' A' ' 436' ' ' LEU . 93.2 m -67.43 -58.67 4.33 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.884 176.997 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.22 -40.93 95.84 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.006 -175.03 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 53.0 tp -59.64 -58.61 7.82 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.312 -177.4 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 440' ' ' LYS . . . . . 0.554 ' HB3' HG13 ' A' ' 398' ' ' ILE . 11.5 pttp -61.14 -28.53 69.18 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 121.029 0.442 . . . . 0.0 110.83 -175.522 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 441' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 437' ' ' THR . 40.3 mmt180 -68.0 -58.38 4.61 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.888 178.284 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 6.6 ptmm? -78.22 8.94 4.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 111.067 -179.724 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 443' ' ' LEU . . . . . 0.593 HD21 ' HA ' ' A' ' 395' ' ' GLN . 50.0 tp . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.059 176.262 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 395' ' ' GLN . . . . . 0.617 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 15.2 mm100 . . . . . 0 CA--C 1.518 -0.269 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 . . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -66.67 -22.91 66.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.225 175.887 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -59.88 -52.94 49.9 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.056 -179.84 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.605 ' HB ' HD23 ' A' ' 439' ' ' LEU . 0.0 OUTLIER -70.19 -37.45 71.67 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.63 0 C-N-CA 120.719 -0.393 . . . . 0.0 109.97 178.631 . . . . . . . . 3 3 . 1 . 049 nuclear build core ' A' A ' 399' ' ' LYS . . . . . 0.617 ' HG2' ' O ' ' A' ' 395' ' ' GLN . 13.8 mmmm -59.99 -45.8 91.53 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.692 -175.696 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -68.69 -45.55 71.35 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.116 0.484 . . . . 0.0 110.875 179.297 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -70.37 -35.27 73.43 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.984 -177.513 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 402' ' ' ILE . . . . . 0.768 HG13 HD22 ' A' ' 436' ' ' LEU . 15.2 tt -66.92 -30.86 51.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -179.712 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.608 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 72.8 mtp180 -59.09 -50.35 74.41 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 172.255 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 404' ' ' ARG . . . . . 0.485 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 41.2 mtm180 -64.31 -49.9 69.94 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.688 178.788 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 405' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -64.0 -46.67 83.51 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.205 -174.401 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -73.69 -20.29 60.58 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.068 -0.653 . . . . 0.0 110.865 179.886 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.608 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.8 t80 -71.31 -49.75 39.53 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.599 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 408' ' ' LEU . . . . . 0.488 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.7 pp -73.13 -28.36 62.2 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.639 177.513 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 409' ' ' LEU . . . . . 0.462 ' N ' HD12 ' A' ' 408' ' ' LEU . 9.4 tt -60.16 -45.67 92.31 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 173.494 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 410' ' ' ASN . . . . . 0.405 ' HB3' ' O ' ' A' ' 407' ' ' PHE . 2.9 t-20 -54.59 -46.02 73.69 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.643 175.488 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 411' ' ' SER . . . . . 0.488 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 6.8 t -63.35 -57.54 10.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.034 -179.252 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.572 HD11 ' HB3' ' A' ' 429' ' ' LEU . 4.4 pp -67.47 -20.86 65.53 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 120.761 0.315 . . . . 0.0 111.224 -178.261 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -64.61 -46.86 80.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.83 0.348 . . . . 0.0 110.663 176.238 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 414' ' ' ARG . . . . . 0.488 ' HG2' ' O ' ' A' ' 411' ' ' SER . 6.7 ptm180 -78.62 -13.17 59.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.865 0.364 . . . . 0.0 110.612 -177.405 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.67 -11.74 60.53 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.68 172.806 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.559 HD21 ' HB2' ' A' ' 425' ' ' LYS . 81.3 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.802 176.401 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 422' ' ' ASP . . . . . 0.676 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 12.5 t70 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 . . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -104.73 -11.95 16.59 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.141 0.496 . . . . 0.0 110.58 -179.669 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 424' ' ' SER . . . . . 0.463 ' O ' ' HG2' ' A' ' 428' ' ' ARG . 64.7 m -72.99 -42.27 63.47 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.899 -176.769 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 425' ' ' LYS . . . . . 0.676 ' HG2' ' OD1' ' A' ' 422' ' ' ASP . 48.0 mmtt -57.97 -37.54 74.4 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.399 0.618 . . . . 0.0 109.758 178.748 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 426' ' ' GLU . . . . . 0.564 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 9.0 tp10 -62.79 -50.67 70.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.581 -1.191 . . . . 0.0 109.973 -177.387 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -73.31 -18.03 61.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.069 178.872 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 428' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' A' ' 424' ' ' SER . 33.3 mmt180 -79.52 -43.37 23.23 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.157 178.754 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.572 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.5 pp -63.99 -35.94 82.33 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 177.748 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -76.27 -26.98 56.47 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.232 179.124 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.511 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 42.4 tt0 -63.29 -57.52 10.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.822 178.169 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.429 HG11 HD11 ' A' ' 408' ' ' LEU . 24.8 m -68.54 -31.53 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.238 -179.933 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -63.26 -44.41 95.22 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.967 0.413 . . . . 0.0 110.286 -179.842 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 434' ' ' ARG . . . . . 0.511 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 12.3 ptt180 -72.46 -28.51 62.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.925 -178.352 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 435' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 431' ' ' GLU . 73.1 mt -68.17 -54.77 19.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 116.717 -0.219 . . . . 0.0 111.009 177.936 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 436' ' ' LEU . . . . . 0.768 HD22 HG13 ' A' ' 402' ' ' ILE . 4.3 pp -63.05 -35.04 78.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.802 179.378 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 437' ' ' THR . . . . . 0.594 ' HA ' ' HE3' ' A' ' 440' ' ' LYS . 97.3 m -71.55 -45.45 62.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.861 -0.154 . . . . 0.0 111.383 -179.945 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 438' ' ' ALA . . . . . 0.558 ' O ' ' HB2' ' A' ' 442' ' ' LYS . . . -55.42 -48.71 73.99 Favored 'General case' 0 CA--C 1.516 -0.341 0 O-C-N 123.359 0.412 . . . . 0.0 110.886 -178.64 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 439' ' ' LEU . . . . . 0.605 HD23 ' HB ' ' A' ' 398' ' ' ILE . 34.5 tp -64.1 -57.87 8.33 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.063 -177.368 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 440' ' ' LYS . . . . . 0.594 ' HE3' ' HA ' ' A' ' 437' ' ' THR . 22.9 pttp -64.35 -32.13 73.61 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -172.321 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 441' ' ' ARG . . . . . 0.421 ' HD3' ' HA ' ' A' ' 441' ' ' ARG . 37.3 mmt180 -82.96 -44.78 14.91 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.365 -178.807 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 442' ' ' LYS . . . . . 0.558 ' HB2' ' O ' ' A' ' 438' ' ' ALA . 14.1 mptt -69.58 -18.41 63.63 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.072 178.093 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 17.1 tp . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.375 -178.849 . . . . . . . . 0 0 . 1 . 050 nuclear build core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 . . . . . 0 C--O 1.232 0.17 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 050 nuclear build core ' A' A ' 396' ' ' ALA . . . . . 0.46 ' HA ' ' HB2' ' A' ' 399' ' ' LYS . . . -66.09 -10.96 45.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.153 174.676 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.44 -55.03 31.35 Favored Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.596 176.786 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 398' ' ' ILE . . . . . 0.503 ' CD1' ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -70.45 -32.93 51.74 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.609 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 176.861 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' A' A ' 399' ' ' LYS . . . . . 0.46 ' HB2' ' HA ' ' A' ' 396' ' ' ALA . 71.4 mmtt -55.38 -52.43 63.55 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -178.732 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -72.91 -38.49 66.88 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.73 0.3 . . . . 0.0 111.176 179.444 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.46 -47.17 85.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.367 178.313 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 402' ' ' ILE . . . . . 0.432 HG13 ' HB2' ' A' ' 436' ' ' LEU . 13.2 tt -65.83 -30.47 50.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.502 -177.209 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.647 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 89.5 mtt180 -57.55 -49.86 74.97 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.176 173.091 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 404' ' ' ARG . . . . . 0.509 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 63.5 mtm180 -72.54 -43.0 64.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.114 -179.782 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 405' ' ' GLN . . . . . 0.471 ' O ' ' HB2' ' A' ' 409' ' ' LEU . 75.1 mt-30 -65.15 -42.7 93.53 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.975 -177.344 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -78.65 -20.01 51.28 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.07 -0.652 . . . . 0.0 110.729 177.884 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 407' ' ' PHE . . . . . 0.647 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 4.1 t80 -69.18 -51.56 36.83 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 175.249 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 408' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 404' ' ' ARG . 3.4 pp -70.63 -29.74 66.19 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.31 176.805 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 409' ' ' LEU . . . . . 0.59 ' O ' ' HB2' ' A' ' 413' ' ' HIS . 7.0 tt -61.04 -49.17 78.48 Favored 'General case' 0 C--O 1.224 -0.257 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 175.018 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.22 -41.54 84.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.735 174.804 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 38.2 m -61.38 -58.18 9.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.958 179.809 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 412' ' ' LEU . . . . . 0.752 HD11 ' HB3' ' A' ' 429' ' ' LEU . 4.6 pp -65.61 -26.1 67.68 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 121.0 0.429 . . . . 0.0 110.987 -179.212 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 413' ' ' HIS . . . . . 0.59 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 0.9 OUTLIER -66.48 -34.63 78.35 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 177.423 . . . . . . . . 3 3 . 1 . 050 nuclear build core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -76.67 -26.4 54.76 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.02 177.888 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 415' ' ' ASP . . . . . 0.419 ' OD2' ' HA ' ' A' ' 412' ' ' LEU . 16.2 m-20 -64.29 -18.06 64.23 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.669 175.78 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.662 HD21 ' HB2' ' A' ' 425' ' ' LYS . 49.2 mt . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 178.057 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 422' ' ' ASP . . . . . 0.573 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 10.0 t70 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 . . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 83.3 mt -109.4 -13.47 14.59 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.702 -178.941 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 424' ' ' SER . . . . . 0.608 ' O ' ' HG2' ' A' ' 428' ' ' ARG . 78.0 p -71.63 -39.76 70.18 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.326 179.643 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 425' ' ' LYS . . . . . 0.662 ' HB2' HD21 ' A' ' 416' ' ' LEU . 41.6 mmtm -71.12 -30.22 66.23 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 177.488 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 426' ' ' GLU . . . . . 0.487 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 4.9 mm-40 -62.88 -51.31 67.49 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.321 179.112 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -67.96 -23.76 65.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.263 178.887 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 428' ' ' ARG . . . . . 0.609 ' HB3' HD22 ' A' ' 412' ' ' LEU . 24.1 mmm180 -75.75 -48.05 23.39 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.111 -179.36 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 429' ' ' LEU . . . . . 0.752 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.2 pp -62.79 -31.68 72.7 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.511 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -78.18 -29.36 48.48 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.466 179.748 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.623 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 7.7 tp10 -69.1 -57.06 5.91 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 121.153 0.501 . . . . 0.0 109.825 -179.528 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.512 HG23 HD12 ' A' ' 409' ' ' LEU . 30.0 m -67.62 -25.89 34.04 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.959 179.796 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 433' ' ' GLN . . . . . 0.632 ' HB2' ' O ' ' A' ' 429' ' ' LEU . 50.3 tp60 -59.49 -50.59 73.33 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.756 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 434' ' ' ARG . . . . . 0.623 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 16.5 ptm180 -68.47 -32.67 72.83 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.375 -177.555 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 435' ' ' ILE . . . . . . . . . . . . . 78.6 mt -69.16 -57.17 9.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-N 116.603 -0.272 . . . . 0.0 111.119 -179.722 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 436' ' ' LEU . . . . . 0.496 ' O ' ' HG2' ' A' ' 440' ' ' LYS . 4.4 pp -61.44 -36.39 80.23 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-O 120.533 0.206 . . . . 0.0 111.006 -178.514 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 437' ' ' THR . . . . . 0.715 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 84.9 m -70.1 -49.21 53.11 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 121.111 -0.236 . . . . 0.0 110.991 179.338 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 438' ' ' ALA . . . . . 0.461 ' O ' ' HD3' ' A' ' 442' ' ' LYS . . . -62.95 -43.77 97.88 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.786 0.326 . . . . 0.0 110.518 -177.408 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 439' ' ' LEU . . . . . 0.581 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 23.1 tp -60.17 -53.58 55.99 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.632 -175.531 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 440' ' ' LYS . . . . . 0.715 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 54.5 pttt -63.68 -35.44 80.57 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.428 -178.196 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -74.25 -41.5 61.19 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.524 -176.521 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 442' ' ' LYS . . . . . 0.461 ' HD3' ' O ' ' A' ' 438' ' ' ALA . 4.9 mptp? -74.74 -13.54 60.61 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.928 178.609 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 443' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 46.0 mt . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.467 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.613 0 N-CA-C 111.743 -0.543 . . . . 0.0 111.743 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 48.7 m -87.03 102.86 14.81 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.895 0.378 . . . . 0.0 110.205 177.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -85.57 81.5 8.65 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.52 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 3.6 p -130.66 102.18 6.01 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.485 -177.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 395' ' ' GLN . . . . . 0.583 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 0.1 OUTLIER -72.18 -31.82 66.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.179 0.514 . . . . 0.0 109.753 176.596 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -69.16 -18.21 63.91 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.79 174.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.62 -52.88 42.46 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.819 176.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.422 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -67.63 -29.26 44.7 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 177.569 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.636 ' O ' ' HG3' ' A' ' 403' ' ' ARG . 32.4 mmtp -60.21 -50.81 72.21 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.842 178.646 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -66.84 -44.63 80.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.095 0.474 . . . . 0.0 110.41 177.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -58.13 -50.33 73.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.54 178.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 402' ' ' ILE . . . . . 0.498 ' HA ' ' HB2' ' A' ' 405' ' ' GLN . 12.1 tt -64.97 -26.09 39.23 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.479 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.623 -174.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.636 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 82.5 mtp180 -63.13 -47.96 80.53 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 173.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 404' ' ' ARG . . . . . 0.436 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 44.4 mtm180 -69.52 -44.87 70.15 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.099 0.476 . . . . 0.0 110.318 178.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 405' ' ' GLN . . . . . 0.498 ' HB2' ' HA ' ' A' ' 402' ' ' ILE . 74.4 mt-30 -60.87 -55.28 34.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.429 -0.805 . . . . 0.0 112.024 -179.34 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -61.95 -29.85 70.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.811 0.339 . . . . 0.0 110.849 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.53 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.9 t80 -60.03 -56.72 18.17 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.169 0.509 . . . . 0.0 109.733 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.624 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.3 pp -74.01 -29.78 62.12 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.185 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 409' ' ' LEU . . . . . 0.477 ' N ' HD12 ' A' ' 408' ' ' LEU . 5.6 tt -62.07 -50.22 72.85 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 -179.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -61.56 -40.98 96.67 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.999 0.428 . . . . 0.0 110.153 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 28.4 t -58.99 -62.31 1.98 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.943 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.645 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 4.2 pp -65.87 -22.69 66.54 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 120.713 0.292 . . . . 0.0 111.067 -177.304 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 413' ' ' HIS . . . . . 0.408 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 2.7 t60 -65.37 -34.11 77.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.108 0.48 . . . . 0.0 110.214 175.435 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -80.14 -22.05 42.48 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.977 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -65.18 -13.24 57.74 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.888 0.375 . . . . 0.0 111.348 174.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 72.8 mt -85.58 -8.1 58.47 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.955 177.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -109.81 139.12 45.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.012 0.434 . . . . 0.0 111.351 -173.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 116.02 29.78 2.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.578 178.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 74.09 27.17 66.91 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.686 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 47.9 mm -93.22 128.59 44.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.14 0.495 . . . . 0.0 110.938 -176.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -97.34 80.13 2.86 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.08 175.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 422' ' ' ASP . . . . . 0.593 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 10.1 t70 -126.66 123.34 37.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.948 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 83.7 mt -100.22 -13.38 18.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.202 0.525 . . . . 0.0 110.64 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 9.4 t -73.91 -47.81 35.24 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.0 -172.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 425' ' ' LYS . . . . . 0.645 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 12.0 mptt -62.86 -34.52 77.54 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.31 -177.051 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 426' ' ' GLU . . . . . 0.563 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 28.9 tt0 -74.61 -43.68 54.32 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.883 0.373 . . . . 0.0 110.398 -174.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -62.02 -31.61 72.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.479 0.657 . . . . 0.0 110.113 173.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 428' ' ' ARG . . . . . 0.462 ' HD2' HD22 ' A' ' 412' ' ' LEU . 26.3 ttm180 -75.02 -44.2 49.37 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.755 -177.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 3.5 pp -62.49 -30.95 71.64 Favored 'General case' 0 CA--C 1.513 -0.447 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.05 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -73.92 -32.68 63.64 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.308 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.469 ' O ' HG13 ' A' ' 435' ' ' ILE . 9.7 tp10 -63.59 -53.16 55.99 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 174.044 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 428' ' ' ARG . 61.5 t -57.68 -45.27 86.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.603 177.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 47.8 tp60 -56.97 -47.71 80.1 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.559 -178.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 434' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -75.73 -26.3 57.35 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.959 -173.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 435' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 431' ' ' GLU . 82.4 mt -71.02 -55.71 13.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 C-N-CA 121.121 -0.232 . . . . 0.0 110.991 177.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 436' ' ' LEU . . . . . 0.443 HD12 ' N ' ' A' ' 437' ' ' THR . 4.3 pp -59.18 -39.41 82.46 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 120.793 0.33 . . . . 0.0 110.582 -178.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 437' ' ' THR . . . . . 0.443 ' N ' HD12 ' A' ' 436' ' ' LEU . 73.0 m -66.19 -56.99 8.6 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.745 179.009 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.97 -40.25 92.69 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -175.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.479 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 38.2 tp -61.07 -55.7 29.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.277 -177.453 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 440' ' ' LYS . . . . . 0.422 ' HB3' HG13 ' A' ' 398' ' ' ILE . 18.5 pttp -65.72 -28.5 69.1 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.968 0.413 . . . . 0.0 111.095 -175.583 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 441' ' ' ARG . . . . . 0.778 ' HD2' ' HG3' ' A' ' 445' ' ' GLU . 18.9 mmm180 -74.39 -46.57 39.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.455 179.193 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -65.75 -28.68 69.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.578 0.228 . . . . 0.0 111.508 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 64.0 mt -85.66 -35.68 20.76 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -175.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 444' ' ' ARG . . . . . 0.56 ' HD2' ' OE1' ' A' ' 445' ' ' GLU . 9.8 ttm180 -112.06 -31.62 6.83 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.429 -0.509 . . . . 0.0 112.251 -173.674 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 445' ' ' GLU . . . . . 0.778 ' HG3' ' HD2' ' A' ' 441' ' ' ARG . 7.3 mm-40 -89.73 10.39 23.59 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.902 0.382 . . . . 0.0 110.773 -175.281 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.368 -0.825 . . . . 0.0 110.777 -179.463 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.463 0 N-CA-C 111.735 -0.546 . . . . 0.0 111.735 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 47.7 m -143.07 98.56 3.29 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 393' ' ' GLU . . . . . 0.539 ' HA ' HD12 ' A' ' 443' ' ' LEU . 9.2 pt-20 -113.81 142.9 45.5 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.384 0.611 . . . . 0.0 112.393 -172.011 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.554 ' H ' HD12 ' A' ' 443' ' ' LEU . 19.9 p -126.01 59.23 1.32 Allowed 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.043 166.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 395' ' ' GLN . . . . . 0.411 ' OE1' ' HB2' ' A' ' 444' ' ' ARG . 47.3 tp60 -66.95 -31.3 71.79 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.299 -179.597 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -70.79 -29.41 65.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.624 173.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -58.9 -56.05 27.47 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 114.932 -1.031 . . . . 0.0 112.008 178.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.614 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -70.55 -32.9 51.29 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.66 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -179.822 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.857 ' HA ' ' HE3' ' A' ' 399' ' ' LYS . 0.3 OUTLIER -53.54 -59.17 4.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.885 0.374 . . . . 0.0 111.258 -178.122 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -64.73 -49.36 71.12 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-O 121.158 0.504 . . . . 0.0 110.672 -178.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 401' ' ' GLU . . . . . 0.578 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 11.8 mm-40 -60.11 -42.71 95.31 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.898 -178.322 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 402' ' ' ILE . . . . . 0.614 HD12 HD11 ' A' ' 398' ' ' ILE . 12.1 tt -65.16 -33.23 62.29 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.329 0 CA-C-N 117.866 0.303 . . . . 0.0 110.932 -176.29 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.534 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 52.0 mtp180 -59.24 -44.0 92.36 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 175.561 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 404' ' ' ARG . . . . . 0.431 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 27.9 mtm180 -75.23 -40.28 59.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.178 179.177 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 405' ' ' GLN . . . . . 0.578 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 46.3 mt-30 -62.61 -53.28 56.93 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.522 178.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -60.2 -32.52 71.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.96 0.41 . . . . 0.0 110.25 177.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.534 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.5 t80 -60.61 -53.86 52.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.123 178.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.478 HD12 ' N ' ' A' ' 409' ' ' LEU . 2.8 pp -75.4 -28.22 59.36 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 121.054 -0.258 . . . . 0.0 111.53 -179.322 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 409' ' ' LEU . . . . . 0.478 ' N ' HD12 ' A' ' 408' ' ' LEU . 6.3 tt -61.49 -46.49 89.79 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 175.194 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -59.53 -39.13 82.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.187 177.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 16.8 t -65.87 -58.43 5.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.203 -179.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.634 ' CD1' ' HB3' ' A' ' 429' ' ' LEU . 4.1 pp -66.17 -21.96 66.34 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 121.829 -0.544 . . . . 0.0 110.743 -179.631 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 413' ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 4.1 t60 -66.55 -39.37 88.52 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.895 174.679 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -80.07 -10.09 59.74 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.76 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -71.6 -18.73 62.21 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.931 0.396 . . . . 0.0 110.394 171.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.606 HD21 ' HB2' ' A' ' 425' ' ' LYS . 84.1 mt -86.01 10.85 12.97 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.936 -178.044 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -142.15 142.08 32.7 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.826 0.346 . . . . 0.0 111.286 -175.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 114.06 33.54 1.81 Allowed Glycine 0 N--CA 1.446 -0.633 0 C-N-CA 121.123 -0.561 . . . . 0.0 112.346 -179.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 79.15 30.81 44.89 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.938 -0.648 . . . . 0.0 112.085 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 50.7 mm -108.02 134.65 49.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.633 0.254 . . . . 0.0 110.919 -175.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 421' ' ' LYS . . . . . 0.427 ' HB3' ' HE2' ' A' ' 421' ' ' LYS . 50.1 mtpt -106.24 84.87 2.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.974 0.416 . . . . 0.0 110.18 175.136 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 422' ' ' ASP . . . . . 0.535 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 12.3 t70 -131.23 127.96 38.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.015 178.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.6 mp -108.64 -8.23 15.49 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.409 0.623 . . . . 0.0 109.532 177.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 35.1 t -67.57 -49.62 62.35 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.64 -176.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 425' ' ' LYS . . . . . 0.606 ' HB2' HD21 ' A' ' 416' ' ' LEU . 33.4 mmtm -65.1 -30.29 71.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.112 -177.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 426' ' ' GLU . . . . . 0.553 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 10.7 tp10 -64.27 -53.18 53.01 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.988 -176.011 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -70.01 -27.38 64.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.213 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 -76.95 -43.22 36.11 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.901 -176.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.634 ' HB3' ' CD1' ' A' ' 412' ' ' LEU . 4.0 pp -60.99 -38.7 86.93 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 177.342 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -71.43 -28.47 64.0 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 120.531 -0.468 . . . . 0.0 109.806 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.629 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 41.4 tt0 -73.45 -50.45 21.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.66 177.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.437 HG12 ' HA ' ' A' ' 429' ' ' LEU . 10.2 p -65.06 -32.28 57.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 178.406 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -65.66 -48.61 71.54 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.046 177.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 434' ' ' ARG . . . . . 0.629 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 24.5 ptt180 -63.22 -31.83 73.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.768 -176.658 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 435' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 431' ' ' GLU . 82.1 mt -69.93 -55.29 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.731 -0.213 . . . . 0.0 110.82 179.247 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 436' ' ' LEU . . . . . 0.488 ' O ' ' HG2' ' A' ' 440' ' ' LYS . 4.6 pp -63.17 -31.42 72.56 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 121.13 -0.228 . . . . 0.0 110.867 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 437' ' ' THR . . . . . 0.64 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 85.5 m -70.82 -53.36 15.61 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.18 177.333 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.5 -32.27 71.29 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.025 0.44 . . . . 0.0 110.596 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.5 ' O ' HD23 ' A' ' 443' ' ' LEU . 30.2 tp -68.77 -56.58 7.6 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.54 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 440' ' ' LYS . . . . . 0.64 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 58.1 pttt -62.55 -44.25 96.8 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.676 -0.41 . . . . 0.0 111.669 -177.441 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 441' ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' ' 437' ' ' THR . 16.8 mmm180 -66.78 -36.46 82.47 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.518 -174.227 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -94.55 -2.49 51.48 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 121.078 -0.249 . . . . 0.0 111.574 -177.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.554 HD12 ' H ' ' A' ' 394' ' ' THR . 4.5 mm? -114.11 3.72 15.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.014 0.435 . . . . 0.0 110.155 175.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 444' ' ' ARG . . . . . 0.411 ' HB2' ' OE1' ' A' ' 395' ' ' GLN . 31.4 tpt180 -131.1 -55.23 1.04 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.029 178.416 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -77.81 -2.47 36.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.81 0.338 . . . . 0.0 110.849 -178.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.526 -0.75 . . . . 0.0 110.183 179.548 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.62 0 N-CA-C 112.137 -0.385 . . . . 0.0 112.137 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 49.4 m 68.9 12.01 8.51 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 122.978 0.511 . . . . 0.0 111.696 178.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -96.05 -25.22 15.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.019 0.438 . . . . 0.0 110.275 177.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 1.9 p -81.93 73.74 8.95 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.248 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -68.08 -30.87 70.16 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 175.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 396' ' ' ALA . . . . . 0.656 ' HA ' ' HB2' ' A' ' 399' ' ' LYS . . . -65.91 -12.62 56.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.261 174.181 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -59.85 -55.22 31.62 Favored Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 177.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.446 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -73.49 -32.79 37.73 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.65 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 176.757 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.656 ' HB2' ' HA ' ' A' ' 396' ' ' ALA . 1.5 mptm? -60.52 -48.68 80.69 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.678 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -69.63 -44.61 70.27 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-O 120.923 0.392 . . . . 0.0 110.36 178.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 401' ' ' GLU . . . . . 0.486 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 7.4 mm-40 -58.31 -55.27 37.14 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.026 177.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 402' ' ' ILE . . . . . 0.414 ' HA ' ' HB2' ' A' ' 405' ' ' GLN . 11.4 tt -59.44 -29.02 41.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 O-C-N 123.172 0.295 . . . . 0.0 110.98 -175.569 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.542 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 88.2 mtt180 -59.73 -51.47 69.63 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.426 -0.51 . . . . 0.0 109.986 173.646 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 404' ' ' ARG . . . . . 0.529 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 54.3 mtm180 -75.0 -38.88 61.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.811 -178.55 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 405' ' ' GLN . . . . . 0.486 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 92.3 mt-30 -63.15 -53.72 48.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.209 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -61.64 -30.17 70.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.889 0.376 . . . . 0.0 110.19 177.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.542 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.1 t80 -62.9 -55.26 27.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.042 179.037 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.575 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.8 pp -73.5 -30.29 63.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.975 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 409' ' ' LEU . . . . . 0.534 ' N ' HD12 ' A' ' 408' ' ' LEU . 8.2 tt -61.17 -48.27 82.33 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 175.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -59.19 -38.55 80.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.479 176.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 411' ' ' SER . . . . . 0.606 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 41.0 m -63.52 -60.57 3.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.028 -179.622 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.618 ' CD1' ' HB3' ' A' ' 429' ' ' LEU . 3.6 pp -70.08 -14.64 62.76 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.315 -0.554 . . . . 0.0 111.38 -179.06 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 413' ' ' HIS . . . . . 0.451 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 3.3 t60 -73.82 -40.39 63.37 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 174.038 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 414' ' ' ARG . . . . . 0.606 ' HG2' ' O ' ' A' ' 411' ' ' SER . 15.6 ptm180 -77.81 -13.1 60.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.151 0.501 . . . . 0.0 109.981 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.74 -20.71 65.97 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.568 170.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 38.5 mt -86.62 16.06 5.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.006 -176.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -100.6 104.82 16.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.786 0.327 . . . . 0.0 110.379 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 125.55 -131.8 7.74 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.026 -0.606 . . . . 0.0 112.496 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -86.36 76.38 2.13 Favored Glycine 0 N--CA 1.451 -0.319 0 N-CA-C 111.851 -0.5 . . . . 0.0 111.851 -178.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 78.2 mt -58.4 113.65 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.461 0.648 . . . . 0.0 112.731 -173.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -133.9 35.12 3.34 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 167.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 422' ' ' ASP . . . . . 0.85 ' HB3' ' HD2' ' A' ' 425' ' ' LYS . 3.4 m-20 -122.26 42.83 3.04 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 111.868 -2.424 . . . . 0.0 109.253 -170.493 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -59.16 -32.02 69.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.789 -175.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 11.5 p -64.48 -33.67 76.42 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.209 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 425' ' ' LYS . . . . . 0.85 ' HD2' ' HB3' ' A' ' 422' ' ' ASP . 91.1 mttt -69.99 -29.67 66.81 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.816 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 426' ' ' GLU . . . . . 0.503 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 46.1 mt-10 -67.56 -43.54 80.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.546 0.689 . . . . 0.0 109.609 176.187 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -65.57 -28.6 69.26 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.105 176.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 428' ' ' ARG . . . . . 0.512 ' O ' HG23 ' A' ' 432' ' ' VAL . 57.7 mtt180 -72.6 -52.19 16.5 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.707 -179.19 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.618 ' HB3' ' CD1' ' A' ' 412' ' ' LEU . 4.5 pp -59.33 -30.86 68.67 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.429 -179.444 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 430' ' ' TRP . . . . . 0.405 ' N ' HD12 ' A' ' 429' ' ' LEU . 2.2 t90 -71.61 -37.42 70.94 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.444 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.589 ' HA ' ' HG2' ' A' ' 434' ' ' ARG . 30.1 tt0 -70.23 -42.84 71.73 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 120.571 -0.451 . . . . 0.0 109.79 176.709 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 428' ' ' ARG . 60.2 t -56.71 -44.16 80.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.994 0.426 . . . . 0.0 109.998 176.166 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -64.34 -43.32 94.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.418 -178.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 434' ' ' ARG . . . . . 0.589 ' HG2' ' HA ' ' A' ' 431' ' ' GLU . 37.6 ptt180 -71.54 -28.34 63.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.647 -176.679 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 435' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 431' ' ' GLU . 83.2 mt -70.5 -56.05 12.31 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.129 0 CA-C-N 116.795 -0.184 . . . . 0.0 110.522 177.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 436' ' ' LEU . . . . . 0.496 ' O ' ' HG2' ' A' ' 440' ' ' LYS . 4.4 pp -58.62 -33.13 69.7 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.661 0.267 . . . . 0.0 110.74 -177.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 437' ' ' THR . . . . . 0.588 ' O ' ' HG2' ' A' ' 441' ' ' ARG . 84.4 m -68.09 -57.1 6.64 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.672 177.698 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -63.4 -35.06 79.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.532 -176.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.422 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 33.4 tp -64.09 -53.76 44.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.814 -176.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 440' ' ' LYS . . . . . 0.496 ' HG2' ' O ' ' A' ' 436' ' ' LEU . 52.6 pttt -64.54 -26.56 68.47 Favored 'General case' 0 CA--C 1.521 -0.171 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.695 -178.151 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 441' ' ' ARG . . . . . 0.588 ' HG2' ' O ' ' A' ' 437' ' ' THR . 38.7 mmt180 -68.0 -49.73 59.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.568 177.424 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -73.05 -11.99 60.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.164 -0.335 . . . . 0.0 111.67 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 84.9 mt -101.23 -15.83 17.18 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.041 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -122.69 -36.72 2.86 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 122.116 -0.365 . . . . 0.0 111.815 -177.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 445' ' ' GLU . . . . . 0.557 ' HG2' ' HA ' ' A' ' 441' ' ' ARG . 1.4 mm-40 -87.79 8.27 26.58 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.915 0.388 . . . . 0.0 110.798 -174.088 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.403 -0.808 . . . . 0.0 110.284 179.559 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.435 0 N-CA-C 111.525 -0.63 . . . . 0.0 111.525 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 15.6 t -118.17 85.75 2.4 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -107.24 146.44 31.44 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.204 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 10.8 m -121.89 112.06 17.86 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.646 -178.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 395' ' ' GLN . . . . . 0.764 ' HA ' HD21 ' A' ' 443' ' ' LEU . 9.6 mm100 -62.82 -35.84 81.24 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.088 0.471 . . . . 0.0 110.399 175.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 396' ' ' ALA . . . . . 0.428 ' HA ' ' HB3' ' A' ' 399' ' ' LYS . . . -66.73 -8.58 29.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.898 175.699 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.86 -63.17 5.01 Favored Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.679 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -74.63 -30.66 25.44 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.674 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 177.296 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.88 ' HA ' ' HE2' ' A' ' 399' ' ' LYS . 0.1 OUTLIER -58.26 -56.73 18.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.928 0.394 . . . . 0.0 111.427 -176.421 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -77.68 -33.47 53.28 Favored 'General case' 0 N--CA 1.446 -0.646 0 O-C-N 122.074 -0.391 . . . . 0.0 111.122 -177.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 401' ' ' GLU . . . . . 0.501 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 19.3 mm-40 -72.92 -30.37 63.85 Favored 'General case' 0 C--O 1.222 -0.372 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.499 178.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 402' ' ' ILE . . . . . 0.679 HD12 HD11 ' A' ' 398' ' ' ILE . 10.2 tt -69.68 -30.42 44.85 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.275 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 176.182 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.627 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 82.9 mtp180 -56.58 -46.93 80.51 Favored 'General case' 0 C--N 1.334 -0.107 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 171.234 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 404' ' ' ARG . . . . . 0.462 ' HD2' ' OE2' ' A' ' 401' ' ' GLU . 90.5 mtt180 -65.36 -54.49 28.04 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.293 176.52 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 405' ' ' GLN . . . . . 0.58 ' O ' ' HB2' ' A' ' 409' ' ' LEU . 47.6 mt-30 -62.6 -35.22 78.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.045 -174.645 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 406' ' ' GLU . . . . . 0.505 ' HG3' HG12 ' A' ' 402' ' ' ILE . 47.2 mt-10 -80.38 -25.3 39.21 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.817 175.587 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.627 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 9.4 t80 -62.67 -55.04 30.54 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 178.149 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.561 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.7 pp -72.25 -26.69 62.1 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.829 177.531 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 409' ' ' LEU . . . . . 0.58 ' HB2' ' O ' ' A' ' 405' ' ' GLN . 18.0 tp -59.39 -46.23 89.25 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.073 0.463 . . . . 0.0 109.806 176.196 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -62.89 -43.49 98.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.485 177.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 50.4 m -61.68 -55.5 29.75 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.799 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.796 HD11 ' HB3' ' A' ' 429' ' ' LEU . 4.4 pp -66.89 -19.75 65.79 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 120.814 0.34 . . . . 0.0 111.177 -177.01 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 413' ' ' HIS . . . . . 0.422 ' N ' HD12 ' A' ' 412' ' ' LEU . 10.2 m170 -69.67 -43.5 72.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.907 0.384 . . . . 0.0 110.172 172.052 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -71.66 -21.76 61.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.438 177.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.77 -41.54 97.83 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.128 0.49 . . . . 0.0 110.351 170.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 412' ' ' LEU . 86.9 mt -74.91 -29.12 60.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.433 -179.421 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -62.91 135.74 57.47 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.373 0.606 . . . . 0.0 110.909 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 109.38 7.98 27.56 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -172.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 75.56 35.73 45.86 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 121.119 -0.562 . . . . 0.0 111.724 -178.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 30.7 mm -95.01 117.68 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-O 120.997 0.427 . . . . 0.0 110.52 -176.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -87.91 77.53 8.48 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.137 0.494 . . . . 0.0 109.943 178.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -97.61 102.79 14.64 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 177.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -69.82 -34.59 73.9 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.576 -176.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 22.6 t -65.38 -45.25 84.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.098 -178.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 425' ' ' LYS . . . . . 0.41 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 0.6 OUTLIER -65.99 -34.32 77.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.033 178.475 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 426' ' ' GLU . . . . . 0.663 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 35.7 tt0 -73.28 -43.98 60.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.939 0.4 . . . . 0.0 110.517 -176.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -65.87 -26.03 67.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.085 0.469 . . . . 0.0 109.873 175.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -73.99 -43.35 58.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.418 -178.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.796 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.5 pp -63.74 -36.59 84.38 Favored 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 120.414 -0.515 . . . . 0.0 110.739 -179.029 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 430' ' ' TRP . . . . . 0.524 ' N ' HD12 ' A' ' 429' ' ' LEU . 1.7 t90 -79.25 -25.71 42.54 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 121.056 0.455 . . . . 0.0 110.195 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.644 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 43.3 tt0 -66.14 -53.19 40.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.35 177.42 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.482 HG11 HD11 ' A' ' 408' ' ' LEU . 32.3 m -70.78 -32.91 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 CA-C-O 120.829 0.347 . . . . 0.0 110.822 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -64.82 -43.46 93.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.525 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 434' ' ' ARG . . . . . 0.644 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 32.4 ptt180 -67.65 -34.49 77.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.796 0.331 . . . . 0.0 110.537 -178.206 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 435' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 431' ' ' GLU . 82.6 mt -68.17 -53.6 28.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.01 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 436' ' ' LEU . . . . . 0.47 ' O ' ' HG2' ' A' ' 440' ' ' LYS . 3.8 pp -61.03 -38.41 86.04 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.261 -178.446 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 61.9 m -68.21 -47.05 68.91 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.231 -177.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -57.4 -48.15 79.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.97 0.414 . . . . 0.0 110.776 -178.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 47.6 tp -66.2 -50.29 64.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.711 -177.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 440' ' ' LYS . . . . . 0.516 ' HB3' HG13 ' A' ' 398' ' ' ILE . 21.3 ptmt -61.24 -32.3 72.1 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.699 0.285 . . . . 0.0 111.573 -174.659 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 441' ' ' ARG . . . . . 0.464 ' NH1' ' HG3' ' A' ' 445' ' ' GLU . 3.1 mmp_? -68.96 -56.95 6.24 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.822 -178.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -68.05 -21.3 65.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.796 0.332 . . . . 0.0 111.534 -177.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.764 HD21 ' HA ' ' A' ' 395' ' ' GLN . 61.1 tp -85.36 -58.02 2.84 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.965 -176.001 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -74.19 -32.78 63.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.735 -172.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 445' ' ' GLU . . . . . 0.464 ' HG3' ' NH1' ' A' ' 441' ' ' ARG . 5.1 mm-40 -90.57 19.71 5.14 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.705 0.288 . . . . 0.0 111.21 -172.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.427 -0.797 . . . . 0.0 111.016 -179.958 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.666 0 N-CA-C 111.921 -0.472 . . . . 0.0 111.921 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 8.3 t -115.3 2.12 13.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.229 0.537 . . . . 0.0 110.206 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -87.48 11.48 14.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.77 -175.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 5.6 p -91.74 76.66 5.64 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -174.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 18.1 tp60 -67.06 -37.88 84.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.585 0.707 . . . . 0.0 109.401 174.121 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -68.1 -10.5 54.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.466 176.077 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.38 -59.86 8.29 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 176.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.436 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -63.07 -31.53 52.94 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.711 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 176.628 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 399' ' ' LYS . 0.1 OUTLIER -60.62 -53.12 61.26 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.689 -179.824 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -65.49 -49.07 70.4 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.323 0.582 . . . . 0.0 109.953 176.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -57.74 -49.44 76.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.156 -178.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 402' ' ' ILE . . . . . 0.436 HD12 HD11 ' A' ' 398' ' ' ILE . 11.9 tt -62.82 -30.72 50.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.209 0.052 . . . . 0.0 111.092 -175.383 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.566 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 57.5 mtp180 -58.31 -47.61 83.13 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 174.172 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 404' ' ' ARG . . . . . 0.517 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 14.2 mmt180 -74.42 -41.27 61.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.583 -179.096 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 405' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -64.15 -48.34 76.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.933 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.49 -28.5 68.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.813 0.34 . . . . 0.0 110.332 177.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.566 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 1.9 t80 -66.06 -52.26 50.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.572 178.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.667 HD11 HG11 ' A' ' 432' ' ' VAL . 2.5 pp -72.99 -32.5 65.2 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.857 179.733 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 409' ' ' LEU . . . . . 0.597 ' N ' HD12 ' A' ' 408' ' ' LEU . 6.9 tt -60.36 -49.0 79.33 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 175.653 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -54.19 -47.02 72.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.962 175.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 36.7 m -60.94 -58.42 8.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.259 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 4.3 pp -68.15 -20.44 64.89 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 120.884 0.373 . . . . 0.0 111.38 -179.074 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 413' ' ' HIS . . . . . 0.467 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 3.0 t60 -66.9 -35.61 80.39 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 174.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -77.94 -23.62 48.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.821 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 415' ' ' ASP . . . . . 0.529 ' OD2' ' HA ' ' A' ' 412' ' ' LEU . 64.9 m-20 -65.58 -12.71 55.56 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.973 176.162 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.617 HD21 ' HB2' ' A' ' 425' ' ' LYS . 96.4 mt -84.73 8.33 17.44 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -176.566 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -160.93 -175.86 5.17 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.861 178.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 91.74 16.79 50.92 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -175.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 106.88 10.16 28.93 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.528 -177.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 40.4 mm -111.56 135.53 50.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.622 0.249 . . . . 0.0 110.587 -176.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 421' ' ' LYS . . . . . 0.459 ' NZ ' ' HB3' ' A' ' 421' ' ' LYS . 9.2 mtpm? -117.34 108.6 15.79 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.877 173.25 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 422' ' ' ASP . . . . . 0.488 ' OD2' ' HG2' ' A' ' 425' ' ' LYS . 18.5 t70 -143.99 140.92 29.87 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.547 -176.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 91.9 mt -110.57 -11.96 14.4 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.071 0.463 . . . . 0.0 110.625 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 424' ' ' SER . . . . . 0.509 ' O ' ' HG2' ' A' ' 428' ' ' ARG . 41.1 t -70.39 -44.57 67.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.329 -177.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 425' ' ' LYS . . . . . 0.617 ' HB2' HD21 ' A' ' 416' ' ' LEU . 68.0 mmtt -59.05 -30.17 67.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.532 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 426' ' ' GLU . . . . . 0.6 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 45.7 tt0 -71.05 -46.95 61.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.007 -178.377 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -59.37 -32.1 69.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.199 0.523 . . . . 0.0 110.307 173.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 428' ' ' ARG . . . . . 0.509 ' HG2' ' O ' ' A' ' 424' ' ' SER . 20.7 mmm180 -73.27 -46.31 50.6 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.085 -177.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.3 pp -62.91 -35.6 80.6 Favored 'General case' 0 CA--C 1.518 -0.288 0 C-N-CA 121.071 -0.252 . . . . 0.0 110.354 -178.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -75.06 -28.44 60.38 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.614 -178.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.711 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 5.6 tp10 -63.54 -53.26 54.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.215 0.531 . . . . 0.0 109.946 178.217 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.667 HG11 HD11 ' A' ' 408' ' ' LEU . 2.5 m -70.06 -34.18 58.34 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.57 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -62.9 -47.05 84.99 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 120.712 0.291 . . . . 0.0 110.318 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 434' ' ' ARG . . . . . 0.711 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 5.1 ptm180 -63.58 -36.61 84.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.1 -178.497 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 435' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 431' ' ' GLU . 73.7 mt -71.08 -57.56 7.33 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.569 -179.365 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 436' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 437' ' ' THR . 4.5 pp -57.22 -34.99 69.12 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 117.642 0.201 . . . . 0.0 111.483 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 437' ' ' THR . . . . . 0.733 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 93.3 m -68.57 -55.19 12.47 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.791 178.542 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -63.49 -32.59 74.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.677 0.275 . . . . 0.0 111.226 -177.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.507 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 26.0 tp -63.21 -56.92 12.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.811 -177.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 440' ' ' LYS . . . . . 0.733 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 55.6 pttt -59.45 -35.6 74.36 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.11 0.481 . . . . 0.0 110.889 -179.356 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 441' ' ' ARG . . . . . 0.585 ' O ' ' HG2' ' A' ' 445' ' ' GLU . 51.6 mmm-85 -61.74 -60.0 4.33 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.954 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 442' ' ' LYS . . . . . 0.434 ' O ' ' HB3' ' A' ' 446' ' ' ALA . 34.9 mttm -71.92 -9.58 58.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.042 -0.527 . . . . 0.0 112.219 -174.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 74.3 mt -87.73 -26.23 23.04 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.731 0.301 . . . . 0.0 110.62 174.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -98.47 -49.98 4.46 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 445' ' ' GLU . . . . . 0.585 ' HG2' ' O ' ' A' ' 441' ' ' ARG . 12.3 pt-20 -100.14 21.51 12.77 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -171.221 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 446' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 442' ' ' LYS . . . . . . . . 0 C--O 1.245 0.849 0 CA-C-O 118.406 -0.807 . . . . 0.0 110.398 176.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.635 0 N-CA-C 112.386 -0.286 . . . . 0.0 112.386 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 43.2 m -101.99 -2.54 29.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.831 0.348 . . . . 0.0 111.122 -176.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.2 113.39 26.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.307 0.575 . . . . 0.0 110.536 178.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.531 ' H ' HD21 ' A' ' 443' ' ' LEU . 1.8 p -123.21 90.86 3.36 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.353 178.208 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -67.99 -31.89 71.9 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 177.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -66.53 -14.83 62.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.291 175.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.18 -60.75 6.77 Favored Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 178.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.563 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -71.09 -29.26 35.94 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.497 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 177.305 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.572 ' O ' HG22 ' A' ' 402' ' ' ILE . 0.4 OUTLIER -54.26 -58.06 8.81 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.985 0.421 . . . . 0.0 111.465 179.31 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -71.23 -41.44 70.18 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.799 -177.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -64.19 -38.12 89.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.507 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 402' ' ' ILE . . . . . 0.572 HG22 ' O ' ' A' ' 399' ' ' LYS . 11.1 tt -68.34 -31.89 53.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -178.637 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.571 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 92.2 mtt180 -59.66 -45.04 93.23 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.284 -0.567 . . . . 0.0 110.098 173.051 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 404' ' ' ARG . . . . . 0.411 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 31.9 mmm180 -73.27 -42.11 62.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.013 -178.717 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 405' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -70.82 -46.74 62.24 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.552 -177.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -64.21 -28.99 70.12 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.164 177.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.571 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.3 t80 -61.57 -55.35 31.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.999 176.042 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.561 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.4 pp -73.62 -32.44 64.06 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.236 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 409' ' ' LEU . . . . . 0.49 ' O ' ' HB2' ' A' ' 413' ' ' HIS . 6.0 tt -60.81 -48.41 81.93 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.018 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -61.62 -42.38 98.8 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.076 177.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 52.8 m -61.42 -54.87 37.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 4.3 pp -69.22 -21.43 63.93 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.887 0.375 . . . . 0.0 111.142 -178.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 413' ' ' HIS . . . . . 0.49 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 1.0 OUTLIER -68.12 -27.32 66.36 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 173.803 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -79.08 -27.73 43.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.412 175.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 415' ' ' ASP . . . . . 0.413 ' OD2' ' HA ' ' A' ' 412' ' ' LEU . 10.2 m-20 -70.23 -2.78 14.3 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.73 178.371 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 86.1 mt -99.54 2.78 45.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.848 0.356 . . . . 0.0 110.582 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -130.89 164.35 25.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.438 -174.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 97.76 15.6 36.42 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.276 -178.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 98.28 2.35 57.91 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.028 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 44.1 mm -75.08 134.32 29.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.827 0.346 . . . . 0.0 111.059 -177.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -101.21 89.26 3.72 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 174.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -141.39 133.76 28.17 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.664 0.269 . . . . 0.0 110.838 -175.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 91.8 mt -115.86 -12.16 11.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.107 175.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 39.4 m -64.61 -44.73 89.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.051 -176.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 425' ' ' LYS . . . . . 0.536 ' CG ' ' HB2' ' A' ' 412' ' ' LEU . 2.9 mppt? -74.71 -20.51 59.82 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.048 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 426' ' ' GLU . . . . . 0.665 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 33.7 tt0 -76.26 -43.23 42.81 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.427 0.632 . . . . 0.0 109.496 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -65.27 -28.36 69.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.823 172.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 428' ' ' ARG . . . . . 0.49 ' O ' ' HB3' ' A' ' 431' ' ' GLU . 62.8 ttt180 -81.87 -35.24 29.49 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.724 -177.22 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.4 pp -62.51 -33.59 75.2 Favored 'General case' 0 CA--C 1.515 -0.367 0 C-N-CA 119.912 -0.715 . . . . 0.0 109.228 174.501 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 430' ' ' TRP . . . . . 0.414 ' N ' HD12 ' A' ' 429' ' ' LEU . 1.7 t90 -76.31 -26.75 56.14 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.859 176.562 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.565 ' O ' HG13 ' A' ' 435' ' ' ILE . 35.3 tt0 -62.25 -62.46 1.75 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.574 177.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 428' ' ' ARG . 2.7 m -67.5 -25.97 34.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.618 -178.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 433' ' ' GLN . . . . . 0.568 ' HB2' ' O ' ' A' ' 429' ' ' LEU . 43.6 tt0 -64.59 -47.6 78.04 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.26 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 434' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 19.7 ptt180 -72.43 -23.51 61.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.674 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 435' ' ' ILE . . . . . 0.565 HG13 ' O ' ' A' ' 431' ' ' GLU . 74.1 mt -69.8 -57.34 8.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.537 176.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 436' ' ' LEU . . . . . 0.51 HD22 HG13 ' A' ' 402' ' ' ILE . 4.5 pp -60.87 -33.56 73.26 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-O 120.723 0.296 . . . . 0.0 110.801 179.074 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 437' ' ' THR . . . . . 0.788 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 81.6 m -70.6 -52.43 21.5 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.371 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -59.7 -37.25 78.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.002 0.429 . . . . 0.0 110.485 -178.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.415 ' O ' ' HB2' ' A' ' 443' ' ' LEU . 48.8 tp -63.59 -59.21 4.92 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.813 178.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 440' ' ' LYS . . . . . 0.788 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 63.8 pttt -62.39 -28.04 69.5 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -174.618 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 441' ' ' ARG . . . . . 0.474 ' HA ' ' HG2' ' A' ' 445' ' ' GLU . 40.6 mmt180 -73.92 -50.63 19.22 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.14 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -76.88 -1.95 31.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.876 0.369 . . . . 0.0 111.145 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.531 HD21 ' H ' ' A' ' 394' ' ' THR . 1.2 tm? -102.7 -53.03 2.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.773 179.399 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 -90.86 -32.15 16.16 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -173.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 445' ' ' GLU . . . . . 0.474 ' HG2' ' HA ' ' A' ' 441' ' ' ARG . 2.8 mm-40 -87.93 5.17 41.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.905 0.383 . . . . 0.0 110.98 -171.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.48 -0.771 . . . . 0.0 110.692 -179.783 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.532 0 N-CA-C 111.595 -0.602 . . . . 0.0 111.595 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 45.6 m -82.37 146.51 29.33 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 110.229 -0.285 . . . . 0.0 110.229 178.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 393' ' ' GLU . . . . . 0.521 ' HG2' HD22 ' A' ' 443' ' ' LEU . 1.2 tm-20 -79.66 128.6 33.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.11 0.481 . . . . 0.0 110.299 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 12.5 m -143.39 102.85 4.03 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.744 174.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 395' ' ' GLN . . . . . 0.401 ' OE1' ' HB3' ' A' ' 443' ' ' LEU . 14.5 mm100 -61.04 -31.41 71.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.627 175.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -71.35 -16.67 62.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.234 173.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -66.34 -61.91 5.05 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.594 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.474 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -63.62 -34.01 65.14 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.39 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.438 ' HA ' ' HD3' ' A' ' 399' ' ' LYS . 12.6 tppt? -55.64 -52.69 62.97 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 120.918 0.389 . . . . 0.0 111.004 177.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -66.88 -48.12 69.76 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.186 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 401' ' ' GLU . . . . . 0.447 ' HB3' HE21 ' A' ' 405' ' ' GLN . 52.5 mt-10 -63.68 -39.01 93.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.115 -176.447 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 402' ' ' ILE . . . . . 0.442 HG13 ' HB2' ' A' ' 436' ' ' LEU . 14.2 tt -70.05 -35.46 64.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 C-N-CA 121.355 -0.138 . . . . 0.0 110.85 -176.402 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.631 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 74.6 mtt180 -62.8 -41.03 99.11 Favored 'General case' 0 CA--C 1.517 -0.323 0 C-N-CA 120.63 -0.428 . . . . 0.0 109.896 175.639 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 404' ' ' ARG . . . . . 0.486 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 35.0 mmt180 -70.24 -49.17 52.7 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.558 178.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 405' ' ' GLN . . . . . 0.447 HE21 ' HB3' ' A' ' 401' ' ' GLU . 48.1 mt-30 -69.29 -42.51 75.39 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-N 116.132 -0.485 . . . . 0.0 112.217 -175.717 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -71.22 -26.28 62.86 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 119.858 -0.737 . . . . 0.0 110.437 178.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.631 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 1.1 t80 -63.74 -56.5 15.15 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 174.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.556 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.6 pp -68.59 -32.16 71.86 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.963 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 409' ' ' LEU . . . . . 0.496 ' N ' HD12 ' A' ' 408' ' ' LEU . 7.3 tt -59.18 -50.77 72.77 Favored 'General case' 0 C--O 1.225 -0.214 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 175.446 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -58.16 -48.2 81.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.86 177.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 28.0 m -55.07 -60.81 2.86 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.218 178.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.847 ' HB2' ' HG2' ' A' ' 425' ' ' LYS . 4.5 pp -67.01 -23.8 65.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.791 0.329 . . . . 0.0 111.171 -176.361 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 413' ' ' HIS . . . . . 0.42 ' N ' HD12 ' A' ' 412' ' ' LEU . 16.7 t-160 -63.0 -34.57 77.85 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.165 0.507 . . . . 0.0 109.978 174.459 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -78.34 -23.63 46.88 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.409 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -79.11 7.4 7.54 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.27 177.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.462 HD21 ' HB2' ' A' ' 425' ' ' LYS . 96.9 mt -108.68 -1.06 19.76 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -178.101 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -138.18 168.0 20.65 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.085 -177.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 100.28 13.69 35.29 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.02 -178.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 100.25 30.33 6.35 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.574 -0.822 . . . . 0.0 111.645 -178.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 48.8 mm -109.49 127.7 66.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.788 0.327 . . . . 0.0 110.815 -177.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -93.47 83.43 4.53 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 175.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -134.52 125.81 28.08 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.453 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.6 mp -113.16 -7.91 13.59 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.453 0.644 . . . . 0.0 109.379 176.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 22.9 t -66.93 -48.54 68.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.5 -177.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 425' ' ' LYS . . . . . 0.847 ' HG2' ' HB2' ' A' ' 412' ' ' LEU . 3.1 mppt? -76.45 -17.19 59.44 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.633 -179.018 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 426' ' ' GLU . . . . . 0.64 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 1.0 OUTLIER -62.49 -57.13 12.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.737 0.78 . . . . 0.0 109.289 173.848 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -66.13 -24.67 66.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.077 177.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 428' ' ' ARG . . . . . 0.565 ' HB3' ' HA ' ' A' ' 425' ' ' LYS . 12.8 tpt180 -74.99 -43.67 52.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.801 -177.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.655 ' HB3' HD11 ' A' ' 412' ' ' LEU . 3.9 pp -61.2 -41.68 97.25 Favored 'General case' 0 CA--C 1.513 -0.456 0 C-N-CA 120.604 -0.438 . . . . 0.0 109.882 179.016 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 430' ' ' TRP . . . . . 0.411 ' N ' HD12 ' A' ' 429' ' ' LEU . 3.8 t90 -71.12 -28.8 64.57 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.381 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.687 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 39.8 tt0 -65.83 -53.44 40.04 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.409 179.329 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.42 HG23 HD12 ' A' ' 409' ' ' LEU . 13.0 m -70.21 -30.09 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.714 178.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -65.21 -46.07 82.18 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 434' ' ' ARG . . . . . 0.687 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 13.6 ptm180 -65.5 -29.09 69.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.242 -178.683 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 435' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 431' ' ' GLU . 79.2 mt -70.74 -59.49 3.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 121.22 -0.192 . . . . 0.0 110.687 177.299 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 436' ' ' LEU . . . . . 0.442 ' HB2' HG13 ' A' ' 402' ' ' ILE . 4.2 pp -58.38 -32.9 69.02 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.682 0.277 . . . . 0.0 110.874 -179.581 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 437' ' ' THR . . . . . 0.698 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 86.4 m -73.59 -54.08 9.01 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.461 179.306 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -63.95 -32.54 74.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.77 0.319 . . . . 0.0 110.679 -178.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.566 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 42.5 tp -61.65 -56.63 17.7 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.342 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 440' ' ' LYS . . . . . 0.698 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 51.4 pttt -63.23 -27.53 69.42 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.12 0.486 . . . . 0.0 111.143 179.142 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 441' ' ' ARG . . . . . 0.458 ' HG2' ' O ' ' A' ' 437' ' ' THR . 35.7 mmt180 -69.06 -53.26 21.31 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.973 178.125 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -72.24 -7.06 47.27 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.728 0.299 . . . . 0.0 111.578 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 56.0 mt -95.67 -17.93 20.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.346 175.13 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -118.17 -47.94 2.55 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -178.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -79.86 -1.87 41.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.617 -172.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.542 -0.742 . . . . 0.0 110.903 -177.824 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.45 0 N-CA-C 112.294 -0.322 . . . . 0.0 112.294 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 13.6 p -112.26 127.68 56.04 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 177.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 59.33 26.18 14.99 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.932 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 1.9 p -88.54 83.01 6.81 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.876 -178.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -70.01 -41.86 73.77 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.529 0.68 . . . . 0.0 109.343 176.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -69.3 -14.89 63.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.978 176.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.04 -57.84 15.43 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.485 177.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.536 HD12 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -64.37 -37.5 80.13 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.573 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.28 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.673 ' O ' ' HG3' ' A' ' 403' ' ' ARG . 33.6 mmtp -57.92 -50.9 71.77 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.309 -178.483 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 400' ' ' GLU . . . . . 0.418 ' OE1' ' HD3' ' A' ' 403' ' ' ARG . 5.9 tp10 -66.01 -50.57 63.79 Favored 'General case' 0 C--O 1.244 0.805 0 CA-C-O 121.403 0.62 . . . . 0.0 110.576 178.461 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 401' ' ' GLU . . . . . 0.446 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 44.0 mt-10 -57.33 -50.69 72.15 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.913 -179.08 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 402' ' ' ILE . . . . . 0.52 ' HA ' ' HB2' ' A' ' 405' ' ' GLN . 11.5 tt -60.83 -28.99 44.4 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.225 0 N-CA-C 111.355 0.132 . . . . 0.0 111.355 -175.161 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.673 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 56.5 mtp180 -58.89 -52.65 64.83 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 173.45 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 404' ' ' ARG . . . . . 0.462 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 29.9 mmm180 -73.79 -38.98 64.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.229 -178.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 405' ' ' GLN . . . . . 0.52 ' HB2' ' HA ' ' A' ' 402' ' ' ILE . 97.7 mt-30 -60.11 -55.76 29.96 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.548 177.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -60.9 -30.37 70.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.949 0.404 . . . . 0.0 110.285 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.466 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 1.9 t80 -63.03 -53.33 55.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.182 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.546 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.0 pp -75.62 -29.86 59.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 409' ' ' LEU . . . . . 0.505 HD12 HG13 ' A' ' 432' ' ' VAL . 6.6 tt -61.17 -46.65 89.65 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 176.35 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -57.72 -40.65 80.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.586 176.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 411' ' ' SER . . . . . 0.608 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 30.1 m -65.66 -55.12 19.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.361 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.643 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 3.8 pp -69.44 -19.8 63.78 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 120.294 -0.563 . . . . 0.0 110.752 -179.412 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 413' ' ' HIS . . . . . 0.405 ' N ' HD12 ' A' ' 412' ' ' LEU . 11.5 t-160 -72.72 -39.12 67.19 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.409 173.16 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 414' ' ' ARG . . . . . 0.608 ' HG2' ' O ' ' A' ' 411' ' ' SER . 20.2 ptt180 -76.31 -8.77 57.81 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.567 -179.197 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -63.28 -25.37 68.28 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 167.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 31.0 mt -91.79 38.52 0.99 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.802 -175.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 417' ' ' GLN . . . . . 0.591 ' HG3' ' O ' ' A' ' 414' ' ' ARG . 56.7 mt-30 -54.96 149.6 11.45 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.559 0.218 . . . . 0.0 111.002 176.3 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -54.75 108.1 0.86 Allowed Glycine 0 N--CA 1.453 -0.217 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.858 -178.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 118.68 -13.08 11.89 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 121.075 -0.583 . . . . 0.0 112.145 -177.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 46.0 mm -92.92 116.93 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.941 0.4 . . . . 0.0 110.659 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -91.17 84.93 5.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.002 0.429 . . . . 0.0 110.526 178.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -125.82 123.38 38.6 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.455 176.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 423' ' ' LEU . . . . . 0.416 ' N ' HD12 ' A' ' 423' ' ' LEU . 5.7 mp -102.31 -16.07 16.39 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.235 0.54 . . . . 0.0 109.741 -178.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 20.0 t -68.01 -51.81 42.76 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.676 -175.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 425' ' ' LYS . . . . . 0.643 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 0.0 OUTLIER -74.88 -18.17 60.46 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.438 -177.522 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 426' ' ' GLU . . . . . 0.703 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 34.9 tt0 -72.44 -53.58 11.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.09 0.471 . . . . 0.0 110.242 178.511 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -65.31 -25.48 67.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.156 0.503 . . . . 0.0 110.396 176.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 428' ' ' ARG . . . . . 0.438 ' HE ' ' HB2' ' A' ' 428' ' ' ARG . 8.9 ttm180 -78.79 -39.66 35.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.1 -177.481 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.703 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.3 pp -61.18 -34.85 75.73 Favored 'General case' 0 CA--C 1.514 -0.44 0 C-N-CA 120.358 -0.537 . . . . 0.0 109.68 175.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.1 t90 -71.16 -32.71 69.26 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 120.604 -0.439 . . . . 0.0 110.719 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.634 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 42.6 tt0 -61.34 -55.04 36.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.375 178.079 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.505 HG13 HD12 ' A' ' 409' ' ' LEU . 7.5 p -68.64 -30.79 48.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.584 179.095 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -64.69 -48.43 74.73 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 120.983 0.421 . . . . 0.0 110.256 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 434' ' ' ARG . . . . . 0.634 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 3.9 ptm180 -64.64 -30.05 71.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.11 -177.498 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 435' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 431' ' ' GLU . 86.2 mt -68.29 -59.07 4.08 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.216 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.652 176.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 436' ' ' LEU . . . . . 0.431 ' O ' ' HG2' ' A' ' 440' ' ' LYS . 4.5 pp -60.13 -30.04 69.03 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.895 0.379 . . . . 0.0 111.053 -178.609 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 437' ' ' THR . . . . . 0.451 ' O ' ' HG2' ' A' ' 441' ' ' ARG . 90.5 m -67.43 -59.6 3.25 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.651 176.229 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -64.16 -29.69 70.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.911 0.386 . . . . 0.0 111.029 -178.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.417 ' HG ' ' HB ' ' A' ' 398' ' ' ILE . 21.5 tp -64.14 -61.41 2.27 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 -177.12 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 440' ' ' LYS . . . . . 0.536 ' HB3' HD12 ' A' ' 398' ' ' ILE . 24.1 pttm -63.95 -30.35 71.44 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.425 -176.231 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 441' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 437' ' ' THR . 30.7 mmm180 -70.13 -58.04 4.25 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.43 178.606 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -67.58 -15.1 63.48 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -177.148 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 439' ' ' LEU . 3.8 mm? -91.46 -24.62 19.63 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.214 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -111.39 -26.92 8.86 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 119.556 -0.858 . . . . 0.0 111.997 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -84.65 -2.42 57.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.781 0.324 . . . . 0.0 111.155 -178.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.867 0 CA-C-O 118.388 -0.815 . . . . 0.0 110.323 179.073 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 391' ' ' GLY . . . . . 0.512 ' N ' ' HG1' ' A' ' 394' ' ' THR . . . . . . . . 0 N--CA 1.484 1.869 0 N-CA-C 111.676 -0.57 . . . . 0.0 111.676 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 26.6 t -63.32 -51.84 64.35 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -96.47 92.1 6.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.392 0.615 . . . . 0.0 110.348 176.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.512 ' HG1' ' N ' ' A' ' 391' ' ' GLY . 1.5 m -153.21 81.84 1.19 Allowed 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.898 171.148 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -62.14 -33.62 74.84 Favored 'General case' 0 C--O 1.241 0.645 0 CA-C-O 122.059 0.933 . . . . 0.0 108.601 173.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 396' ' ' ALA . . . . . 0.674 ' HA ' ' HB2' ' A' ' 399' ' ' LYS . . . -63.65 -8.12 9.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.877 173.132 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.4 -63.51 4.8 Favored Glycine 0 N--CA 1.443 -0.893 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.555 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -71.46 -28.04 30.54 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.594 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.245 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.674 ' HB2' ' HA ' ' A' ' 396' ' ' ALA . 2.7 mptp? -60.63 -52.3 65.73 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.275 178.545 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -64.81 -50.14 67.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.186 0.517 . . . . 0.0 110.021 176.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 401' ' ' GLU . . . . . 0.451 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 41.8 mt-10 -61.8 -38.19 87.19 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.886 -175.638 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 402' ' ' ILE . . . . . 0.445 HD12 HD11 ' A' ' 398' ' ' ILE . 12.6 tt -68.63 -35.43 70.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 118.217 0.462 . . . . 0.0 110.498 -177.546 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.62 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 70.8 mtp180 -63.36 -44.93 93.4 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.006 -0.677 . . . . 0.0 109.796 174.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 404' ' ' ARG . . . . . 0.462 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 75.7 mtp180 -66.3 -50.45 63.62 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.113 178.594 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 405' ' ' GLN . . . . . 0.464 HE21 HG13 ' A' ' 432' ' ' VAL . 49.2 mt-30 -67.39 -49.8 62.37 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 116.002 -0.544 . . . . 0.0 112.279 -176.098 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -63.41 -27.2 69.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 118.255 0.479 . . . . 0.0 110.418 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.62 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.9 t80 -65.12 -55.15 20.35 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.901 176.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.503 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.6 pp -72.28 -27.02 62.21 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.8 179.255 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 409' ' ' LEU . . . . . 0.478 ' N ' HD12 ' A' ' 408' ' ' LEU . 14.7 tp -63.81 -47.82 79.34 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 176.199 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -55.54 -41.53 73.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.372 173.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 411' ' ' SER . . . . . 0.641 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 24.5 m -63.38 -59.57 4.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.182 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.612 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 4.0 pp -66.53 -19.38 65.77 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.789 -177.122 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -68.02 -37.83 81.86 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.801 0.334 . . . . 0.0 110.605 172.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 414' ' ' ARG . . . . . 0.641 ' HG2' ' O ' ' A' ' 411' ' ' SER . 5.3 ptp180 -78.17 -13.67 59.77 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 177.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -79.43 -8.21 58.95 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.527 173.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 95.9 mt -99.65 -52.9 3.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.613 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 25.4 pt20 -73.98 150.95 40.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.075 -178.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 112.43 9.11 20.27 Favored Glycine 0 N--CA 1.446 -0.65 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.788 -177.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 87.49 27.35 27.6 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.993 -0.623 . . . . 0.0 111.814 -178.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 37.9 mm -94.85 137.85 22.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.94 0.4 . . . . 0.0 110.814 -176.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -105.06 99.86 9.47 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.847 175.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 422' ' ' ASP . . . . . 0.61 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 11.6 t70 -135.98 142.42 44.53 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 178.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 74.5 mt -109.67 -29.67 8.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.129 0.49 . . . . 0.0 110.636 -178.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 50.4 m -68.58 -44.61 74.03 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.136 -175.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 425' ' ' LYS . . . . . 0.612 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 9.6 mptt -60.99 -34.91 75.52 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.062 0.458 . . . . 0.0 110.811 -179.512 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 426' ' ' GLU . . . . . 0.536 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 11.6 tp10 -64.45 -58.46 6.37 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.233 -177.412 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -65.63 -24.7 67.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.95 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 428' ' ' ARG . . . . . 0.403 ' O ' HG23 ' A' ' 432' ' ' VAL . 16.1 tpt180 -73.08 -44.04 61.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.271 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 3.0 pp -66.09 -37.05 84.82 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.588 -175.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -73.58 -33.49 64.66 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.18 0.514 . . . . 0.0 110.008 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.486 ' O ' HG13 ' A' ' 435' ' ' ILE . 41.8 tt0 -61.22 -52.48 64.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.631 174.09 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.464 HG13 HE21 ' A' ' 405' ' ' GLN . 71.0 t -56.79 -50.31 75.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.315 177.19 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -59.21 -43.59 92.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.845 -176.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 434' ' ' ARG . . . . . 0.468 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 13.0 ptt180 -71.37 -25.06 62.21 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.156 -175.267 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 435' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 431' ' ' GLU . 76.9 mt -74.91 -53.96 15.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-O 120.536 0.208 . . . . 0.0 111.094 178.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 436' ' ' LEU . . . . . . . . . . . . . 4.3 pp -61.86 -34.25 75.65 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.603 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 85.9 m -72.34 -44.93 61.93 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.031 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.23 -44.54 95.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.975 0.417 . . . . 0.0 110.719 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.494 HD23 ' HB ' ' A' ' 398' ' ' ILE . 42.5 tp -61.99 -57.89 9.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.607 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 440' ' ' LYS . . . . . 0.555 ' HB3' HG13 ' A' ' 398' ' ' ILE . 20.6 ptmt -59.22 -38.4 79.86 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.928 0.394 . . . . 0.0 111.56 -174.367 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 441' ' ' ARG . . . . . 0.429 ' CZ ' ' HG3' ' A' ' 445' ' ' GLU . 21.0 mmm180 -72.63 -42.01 64.9 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.588 -176.167 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -85.28 -6.34 59.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.574 0.226 . . . . 0.0 111.491 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 57.1 tp -95.25 -42.28 8.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.627 0.251 . . . . 0.0 110.792 178.101 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 41.3 ttt-85 -103.75 -46.81 4.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.829 -174.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 445' ' ' GLU . . . . . 0.429 ' HG3' ' CZ ' ' A' ' 441' ' ' ARG . 36.3 mm-40 -84.5 -6.18 59.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.801 0.334 . . . . 0.0 111.396 -171.334 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.927 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.923 -177.663 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.749 0 N-CA-C 111.504 -0.638 . . . . 0.0 111.504 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 25.6 m -109.06 -23.63 11.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.625 0.25 . . . . 0.0 111.22 -178.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -90.77 91.19 8.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.993 0.425 . . . . 0.0 110.588 -174.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -87.62 96.07 10.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.937 0.399 . . . . 0.0 111.147 -178.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -69.95 -32.06 70.13 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 174.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -67.87 -11.62 59.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.405 174.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.95 -58.76 11.39 Favored Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.381 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.562 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -69.41 -31.04 47.84 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.501 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 177.68 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.897 ' HA ' ' HE3' ' A' ' 399' ' ' LYS . 0.3 OUTLIER -54.37 -62.98 1.3 Allowed 'General case' 0 C--O 1.236 0.366 0 CA-C-O 120.896 0.379 . . . . 0.0 111.815 -179.531 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 400' ' ' GLU . . . . . 0.522 ' OE1' ' HD2' ' A' ' 403' ' ' ARG . 6.2 tp10 -67.96 -43.28 79.39 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.156 0.503 . . . . 0.0 110.317 -175.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 401' ' ' GLU . . . . . 0.486 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 51.9 mm-40 -61.66 -43.76 98.24 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.148 -179.455 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 402' ' ' ILE . . . . . 0.562 HD12 HD11 ' A' ' 398' ' ' ILE . 11.5 tt -63.42 -31.29 52.32 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.219 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.689 -176.535 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.526 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 84.8 mtt180 -58.67 -49.47 77.44 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.182 0.515 . . . . 0.0 109.833 173.547 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 30.3 mmm180 -71.45 -40.8 70.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.982 -178.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 405' ' ' GLN . . . . . 0.505 ' OE1' ' HB3' ' A' ' 436' ' ' LEU . 96.9 mt-30 -67.5 -49.32 64.01 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.508 -178.7 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -62.69 -30.11 71.15 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.098 0.475 . . . . 0.0 109.801 176.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.526 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.3 t80 -60.84 -54.09 49.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.72 177.281 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.536 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.5 pp -73.32 -29.36 62.63 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.182 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 409' ' ' LEU . . . . . 0.479 ' O ' ' HB2' ' A' ' 413' ' ' HIS . 7.1 tt -62.91 -46.75 86.34 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.114 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -60.25 -41.19 92.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.34 0.591 . . . . 0.0 109.955 177.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 30.6 t -64.77 -56.37 14.0 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.22 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 4.3 pp -67.72 -19.26 65.13 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.549 -0.46 . . . . 0.0 111.047 -179.158 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 413' ' ' HIS . . . . . 0.479 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 17.2 t-160 -66.69 -42.28 86.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.048 175.754 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -79.77 -12.47 59.78 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.001 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -66.72 -18.07 65.18 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.927 0.394 . . . . 0.0 111.383 173.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.481 HD21 ' HB2' ' A' ' 425' ' ' LYS . 68.8 mt -81.48 -34.24 31.45 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.684 178.389 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -89.25 163.92 15.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.36 -177.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 104.2 21.31 9.54 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.555 179.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 86.7 19.46 56.33 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.314 -178.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 41.1 mm -95.5 139.28 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.909 0.385 . . . . 0.0 110.23 -176.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 421' ' ' LYS . . . . . 0.508 ' N ' ' HD2' ' A' ' 421' ' ' LYS . 9.4 mptt -109.5 65.21 0.61 Allowed 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.398 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 422' ' ' ASP . . . . . 0.491 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 11.2 t70 -110.38 137.6 47.89 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.426 -176.474 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 423' ' ' LEU . . . . . 0.429 ' N ' HD12 ' A' ' 423' ' ' LEU . 5.3 mp -114.6 -22.65 9.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.081 0.467 . . . . 0.0 110.481 178.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 58.2 p -63.37 -45.69 89.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.702 -174.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 425' ' ' LYS . . . . . 0.491 ' HD3' ' OD1' ' A' ' 422' ' ' ASP . 13.5 mptt -66.48 -26.22 67.08 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.739 0.304 . . . . 0.0 110.978 -177.465 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 426' ' ' GLU . . . . . 0.685 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 41.2 tt0 -71.73 -44.16 64.62 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.319 0.581 . . . . 0.0 109.715 -178.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -69.55 -22.99 63.51 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.906 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -77.62 -42.87 33.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.075 179.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.685 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.6 pp -61.32 -32.41 72.28 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 177.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 430' ' ' TRP . . . . . 0.413 ' N ' HD12 ' A' ' 429' ' ' LEU . 1.8 t90 -78.67 -33.94 46.68 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.366 177.632 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.605 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 32.1 tt0 -59.38 -58.5 8.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.326 176.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.438 HG13 HD12 ' A' ' 409' ' ' LEU . 10.1 p -66.22 -30.44 49.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.813 -178.408 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 433' ' ' GLN . . . . . 0.545 ' HB2' ' O ' ' A' ' 429' ' ' LEU . 47.9 tt0 -64.82 -48.19 75.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.103 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 434' ' ' ARG . . . . . 0.605 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 5.2 ptm180 -67.41 -30.8 70.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.483 -176.531 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 435' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 431' ' ' GLU . 87.2 mt -69.5 -52.48 32.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.852 179.305 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 436' ' ' LEU . . . . . 0.505 ' HB3' ' OE1' ' A' ' 405' ' ' GLN . 4.5 pp -63.94 -33.06 74.85 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.797 0.332 . . . . 0.0 110.431 -179.441 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 437' ' ' THR . . . . . 0.834 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 74.0 m -70.23 -54.02 14.53 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.035 178.325 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.06 -37.48 79.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.638 0.256 . . . . 0.0 111.093 -176.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.471 ' O ' ' HB2' ' A' ' 443' ' ' LEU . 47.2 tp -65.12 -56.69 11.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.892 -179.511 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 440' ' ' LYS . . . . . 0.834 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 62.5 pttt -61.36 -31.78 71.67 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.748 0.308 . . . . 0.0 110.917 -177.158 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 441' ' ' ARG . . . . . 0.448 ' HG2' ' O ' ' A' ' 437' ' ' THR . 35.7 mmt180 -64.96 -61.78 1.95 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.464 177.627 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 442' ' ' LYS . . . . . 0.781 ' HA ' ' HA ' ' A' ' 446' ' ' ALA . 4.7 mptp? -79.67 7.91 7.56 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -175.001 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.471 ' HB2' ' O ' ' A' ' 439' ' ' LEU . 0.5 OUTLIER -92.88 -43.05 9.17 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 171.759 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -96.03 -49.86 5.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.361 0.6 . . . . 0.0 111.19 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -120.1 56.5 0.96 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.154 -174.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 446' ' ' ALA . . . . . 0.781 ' HA ' ' HA ' ' A' ' 442' ' ' LYS . . . . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.355 -0.831 . . . . 0.0 112.292 -178.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.501 0 N-CA-C 111.749 -0.54 . . . . 0.0 111.749 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 19.7 m -112.46 6.37 18.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.324 0.583 . . . . 0.0 109.967 177.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 393' ' ' GLU . . . . . 0.517 ' H ' ' CD ' ' A' ' 393' ' ' GLU . 1.4 pm0 -81.11 173.38 12.63 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.021 -177.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 6.1 p -122.09 101.01 7.27 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.756 -176.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -70.26 -26.16 63.7 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 173.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -71.39 -11.83 61.1 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.929 173.052 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.55 -57.18 11.82 Favored Glycine 0 N--CA 1.446 -0.694 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.551 177.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.79 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -69.0 -32.56 54.96 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.508 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 176.719 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.836 ' HA ' ' HE3' ' A' ' 399' ' ' LYS . 0.1 OUTLIER -57.21 -48.32 79.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.74 0.305 . . . . 0.0 110.321 177.059 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -65.28 -53.03 50.21 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.385 0.612 . . . . 0.0 110.716 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -61.55 -35.7 78.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.248 -178.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 402' ' ' ILE . . . . . 0.79 HD12 HD11 ' A' ' 398' ' ' ILE . 0.5 OUTLIER -67.62 -30.98 50.51 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.527 0 CA-C-N 116.818 -0.174 . . . . 0.0 110.765 179.601 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.583 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 58.1 mtp180 -60.15 -45.2 93.87 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 174.429 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 -68.52 -47.27 67.38 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.695 178.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 405' ' ' GLN . . . . . 0.425 ' OE1' ' HB3' ' A' ' 436' ' ' LEU . 75.8 mt-30 -70.11 -46.52 64.65 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.357 0.502 . . . . 0.0 112.357 -176.124 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 406' ' ' GLU . . . . . 0.49 ' HG2' HG12 ' A' ' 402' ' ' ILE . 35.1 mm-40 -63.85 -32.67 74.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 118.077 0.398 . . . . 0.0 110.377 178.601 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.57 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.0 t80 -60.67 -52.5 64.87 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.04 178.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.623 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.8 pp -75.18 -27.36 59.61 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.968 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 409' ' ' LEU . . . . . 0.527 HD12 HD11 ' A' ' 412' ' ' LEU . 26.3 tp -62.94 -44.19 96.75 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 175.465 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -62.0 -41.13 97.72 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.332 174.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 41.7 m -65.29 -50.88 64.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.337 -178.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.73 HD13 ' HB3' ' A' ' 429' ' ' LEU . 3.7 pp -69.36 -21.83 63.78 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.597 179.605 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 413' ' ' HIS . . . . . 0.489 ' N ' HD12 ' A' ' 412' ' ' LEU . 9.5 m170 -73.15 -39.23 65.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.78 0.324 . . . . 0.0 110.707 174.74 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 414' ' ' ARG . . . . . 0.419 ' O ' ' HG2' ' A' ' 417' ' ' GLN . 12.0 ptp180 -81.96 -2.22 50.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.476 0.655 . . . . 0.0 109.736 175.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -89.35 -29.99 18.72 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.256 -0.883 . . . . 0.0 109.381 173.127 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.457 HD21 ' HB2' ' A' ' 425' ' ' LYS . 37.5 mt -87.62 36.3 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.366 178.169 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 417' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' ' 414' ' ' ARG . 79.4 mm-40 -54.55 146.77 15.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.409 173.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -57.04 100.71 0.13 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 121.145 -0.55 . . . . 0.0 112.391 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 131.49 -15.58 5.22 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.265 -178.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 50.1 mm -83.51 120.93 35.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.848 0.356 . . . . 0.0 110.499 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -86.39 77.76 9.41 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.165 178.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -133.51 125.36 28.75 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 177.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -104.85 -26.82 12.07 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.994 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 27.5 p -62.98 -39.47 94.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.122 -177.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 425' ' ' LYS . . . . . 0.457 ' HB2' HD21 ' A' ' 416' ' ' LEU . 0.2 OUTLIER -65.79 -24.9 67.03 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.842 0.353 . . . . 0.0 110.972 179.554 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 426' ' ' GLU . . . . . 0.753 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 39.7 tt0 -79.8 -48.94 12.74 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.353 0.597 . . . . 0.0 109.977 -177.69 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -67.57 -27.81 67.25 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.196 0.522 . . . . 0.0 110.004 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 428' ' ' ARG . . . . . 0.43 ' O ' ' HB3' ' A' ' 431' ' ' GLU . 49.1 mtp180 -80.77 -30.68 36.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.761 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.753 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.4 pp -67.66 -35.48 78.94 Favored 'General case' 0 CA--C 1.51 -0.586 0 C-N-CA 119.779 -0.768 . . . . 0.0 109.501 176.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -74.69 -28.5 60.85 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.878 178.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.587 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 32.4 tt0 -58.78 -62.84 1.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.87 176.039 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 34.3 m -67.56 -28.69 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 C-N-CA 121.056 -0.258 . . . . 0.0 111.212 -178.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -65.78 -44.41 85.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.387 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 434' ' ' ARG . . . . . 0.587 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 13.5 ptm180 -70.13 -32.54 70.6 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.291 179.281 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 435' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 431' ' ' GLU . 80.3 mt -67.56 -53.93 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.955 178.134 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 436' ' ' LEU . . . . . 0.483 ' O ' ' HG2' ' A' ' 440' ' ' LYS . 4.5 pp -62.25 -33.14 74.03 Favored 'General case' 0 CA--C 1.523 -0.089 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.891 -178.035 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 437' ' ' THR . . . . . 0.713 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 85.8 m -68.25 -54.78 15.3 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.743 177.542 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.88 -40.54 93.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.133 -177.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.432 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 34.7 tp -61.8 -56.29 21.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.437 -176.349 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 440' ' ' LYS . . . . . 0.713 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 51.8 pttt -62.01 -32.2 72.65 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.944 0.402 . . . . 0.0 111.346 -176.544 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 441' ' ' ARG . . . . . 0.481 ' HA ' ' HE ' ' A' ' 441' ' ' ARG . 1.5 mmp_? -77.73 -40.75 40.05 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -178.771 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -75.49 -15.3 60.42 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -178.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 87.4 mt -88.89 -42.77 11.64 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.893 0.378 . . . . 0.0 110.889 176.219 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -90.87 -41.9 10.93 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.253 -0.431 . . . . 0.0 112.107 -173.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -90.75 24.47 2.7 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.816 0.341 . . . . 0.0 110.986 -174.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.929 0 CA-C-O 118.469 -0.777 . . . . 0.0 110.33 179.617 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.543 0 N-CA-C 112.051 -0.42 . . . . 0.0 112.051 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 52.3 m 59.95 -166.51 0.19 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 122.945 0.498 . . . . 0.0 112.03 178.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -64.44 118.22 8.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.853 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -141.93 87.02 2.02 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.624 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 395' ' ' GLN . . . . . 0.449 ' O ' ' HD3' ' A' ' 399' ' ' LYS . 18.1 mm-40 -60.7 -36.6 79.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.833 0.349 . . . . 0.0 110.202 174.207 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 396' ' ' ALA . . . . . 0.425 ' HA ' ' HB2' ' A' ' 399' ' ' LYS . . . -65.62 -14.51 61.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.828 177.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.03 -63.61 4.26 Favored Glycine 0 N--CA 1.441 -0.985 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.552 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -72.67 -33.27 44.0 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.806 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 178.686 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.454 ' O ' HG22 ' A' ' 402' ' ' ILE . 3.0 mptp? -57.75 -54.46 46.64 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -178.07 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -70.65 -44.95 66.07 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.813 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 401' ' ' GLU . . . . . 0.568 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 33.7 mt-10 -63.7 -40.7 97.44 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 111.671 0.249 . . . . 0.0 111.671 -179.489 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 402' ' ' ILE . . . . . 0.552 HD12 HD11 ' A' ' 398' ' ' ILE . 10.5 tt -64.9 -33.25 62.3 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.531 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 -178.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.633 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 96.4 mtt180 -61.89 -39.47 92.08 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 120.716 -0.393 . . . . 0.0 109.99 174.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 404' ' ' ARG . . . . . 0.463 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 13.4 mmt180 -72.25 -43.59 64.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.799 176.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 405' ' ' GLN . . . . . 0.568 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 49.2 mt-30 -66.67 -48.84 68.08 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.486 -177.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 406' ' ' GLU . . . . . 0.462 ' HG2' HG12 ' A' ' 402' ' ' ILE . 7.2 mm-40 -63.05 -30.72 71.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.972 0.415 . . . . 0.0 110.105 176.356 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.633 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 5.4 t80 -61.81 -55.73 26.9 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.983 178.607 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.625 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.0 pp -73.89 -25.91 60.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.395 179.327 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 409' ' ' LEU . . . . . 0.601 HD12 HD11 ' A' ' 412' ' ' LEU . 23.7 tp -64.95 -43.98 90.95 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 175.333 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -60.45 -41.99 95.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.767 174.176 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 35.5 t -62.68 -52.46 63.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.249 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.631 HD13 ' HB3' ' A' ' 429' ' ' LEU . 3.4 pp -71.37 -21.55 62.01 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.376 -0.529 . . . . 0.0 111.266 -178.413 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 413' ' ' HIS . . . . . 0.507 ' N ' HD12 ' A' ' 412' ' ' LEU . 5.4 m170 -73.89 -40.28 63.3 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.346 174.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 414' ' ' ARG . . . . . 0.458 ' O ' ' HG3' ' A' ' 417' ' ' GLN . 13.8 ptp180 -76.23 -7.98 56.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.347 0.594 . . . . 0.0 109.571 175.248 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -84.87 -21.56 29.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.735 174.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 412' ' ' LEU . 88.1 mt -96.22 30.36 2.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.403 -176.71 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 417' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' ' 414' ' ' ARG . 50.7 mt-30 -56.26 145.32 27.08 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.721 -0.218 . . . . 0.0 110.421 176.627 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -53.3 109.24 0.96 Allowed Glycine 0 C--N 1.331 0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.665 -178.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 124.1 -23.3 6.55 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 121.199 -0.524 . . . . 0.0 111.941 -177.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 43.7 mm -82.59 126.05 39.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 178.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -103.24 73.04 1.19 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.962 0.41 . . . . 0.0 111.174 -176.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 422' ' ' ASP . . . . . 0.461 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 9.9 t0 -119.41 108.18 14.25 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 174.303 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -88.35 -19.12 27.08 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.082 -177.213 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 19.1 m -67.98 -43.75 78.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.035 0.445 . . . . 0.0 110.007 -178.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 425' ' ' LYS . . . . . 0.461 ' HD3' ' OD1' ' A' ' 422' ' ' ASP . 0.2 OUTLIER -61.58 -26.91 68.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.522 179.371 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 426' ' ' GLU . . . . . 0.706 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 34.8 tt0 -77.11 -53.52 7.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.188 0.518 . . . . 0.0 110.497 -175.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -63.25 -34.05 76.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.212 0.529 . . . . 0.0 110.235 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 428' ' ' ARG . . . . . 0.447 ' O ' HG23 ' A' ' 432' ' ' VAL . 11.0 mmt180 -70.24 -39.62 74.92 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.032 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.706 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 3.2 pp -62.23 -38.28 88.63 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 120.124 -0.63 . . . . 0.0 110.072 -178.025 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.4 t90 -70.81 -35.9 72.72 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.858 -177.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.603 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 20.4 tp10 -67.99 -41.66 81.95 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 177.439 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 428' ' ' ARG . 72.3 t -61.9 -48.86 86.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.716 175.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -61.68 -45.36 94.35 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.333 -177.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 434' ' ' ARG . . . . . 0.603 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 9.2 ptm180 -65.96 -28.72 69.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.621 -176.089 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 435' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 431' ' ' GLU . 70.5 mt -74.79 -57.77 5.9 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.254 0 CA-C-N 116.874 -0.148 . . . . 0.0 111.159 178.594 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 436' ' ' LEU . . . . . 0.463 HD12 ' N ' ' A' ' 437' ' ' THR . 4.1 pp -57.96 -37.67 74.6 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.737 0.303 . . . . 0.0 110.918 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 437' ' ' THR . . . . . 0.517 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 88.6 m -68.09 -59.49 3.2 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.738 178.141 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.34 -38.15 82.89 Favored 'General case' 0 CA--C 1.52 -0.209 0 C-N-CA 121.235 -0.186 . . . . 0.0 111.027 -175.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.441 HD23 ' HB ' ' A' ' 398' ' ' ILE . 46.5 tp -58.78 -58.5 8.35 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.868 -177.29 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 440' ' ' LYS . . . . . 0.517 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 58.5 pttt -61.63 -28.31 69.28 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.901 0.381 . . . . 0.0 111.069 -177.129 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 441' ' ' ARG . . . . . 0.61 ' HD3' ' OE1' ' A' ' 445' ' ' GLU . 14.3 mmt180 -72.47 -53.03 13.29 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.869 179.303 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 442' ' ' LYS . . . . . 0.421 ' HA ' ' HB2' ' A' ' 446' ' ' ALA . 7.7 ptmm? -76.96 -12.05 59.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.986 0.422 . . . . 0.0 111.234 -177.621 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 44.8 tp -88.02 -48.82 7.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.018 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 38.8 ttt180 -110.34 -31.04 7.43 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -172.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 445' ' ' GLU . . . . . 0.61 ' OE1' ' HD3' ' A' ' 441' ' ' ARG . 11.9 mt-10 -99.22 12.25 36.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.838 0.351 . . . . 0.0 111.145 -174.117 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 446' ' ' ALA . . . . . 0.421 ' HB2' ' HA ' ' A' ' 442' ' ' LYS . . . . . . . . 0 C--O 1.245 0.82 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.676 -178.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.652 0 N-CA-C 111.684 -0.566 . . . . 0.0 111.684 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 28.9 m -125.17 131.79 53.15 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -73.23 -70.31 0.37 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.756 0.312 . . . . 0.0 110.908 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 33.0 p 50.58 77.82 0.12 Allowed 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.33 -177.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -64.5 -34.71 78.86 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.406 0.622 . . . . 0.0 109.673 177.061 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 396' ' ' ALA . . . . . 0.455 ' HA ' ' HB2' ' A' ' 399' ' ' LYS . . . -70.04 -9.55 55.72 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.319 175.333 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.93 -56.4 21.11 Favored Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 111.124 -0.791 . . . . 0.0 111.124 176.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.566 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -67.52 -32.63 57.91 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.565 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 177.46 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.455 ' HB2' ' HA ' ' A' ' 396' ' ' ALA . 32.4 mmtp -59.27 -46.19 89.2 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.482 177.53 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -72.94 -41.87 64.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.048 0.452 . . . . 0.0 110.217 178.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 401' ' ' GLU . . . . . 0.598 ' HB3' HE21 ' A' ' 405' ' ' GLN . 30.2 mm-40 -60.02 -48.83 80.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.452 177.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 402' ' ' ILE . . . . . . . . . . . . . 13.2 tt -66.53 -34.89 73.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.705 -0.225 . . . . 0.0 110.836 -174.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.612 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 95.8 mtt180 -59.02 -49.72 76.84 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 174.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 404' ' ' ARG . . . . . 0.598 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 41.9 mtm-85 -69.47 -49.27 56.44 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.199 -178.366 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 405' ' ' GLN . . . . . 0.598 HE21 ' HB3' ' A' ' 401' ' ' GLU . 47.9 mt-30 -70.85 -33.39 70.59 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -172.759 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -82.01 -22.57 36.43 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 119.713 -0.795 . . . . 0.0 110.603 177.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.612 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.8 t80 -67.54 -51.79 46.56 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 176.283 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 404' ' ' ARG . 2.0 pp -71.95 -30.51 65.38 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.738 177.711 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 409' ' ' LEU . . . . . 0.573 ' HB2' ' O ' ' A' ' 405' ' ' GLN . 7.3 tt -58.53 -52.47 65.51 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 175.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -53.71 -43.83 69.34 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.856 177.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 411' ' ' SER . . . . . 0.645 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 20.9 m -64.73 -60.22 3.34 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.852 -179.476 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.719 HD11 ' HB3' ' A' ' 429' ' ' LEU . 4.4 pp -63.88 -24.2 67.65 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.057 0.456 . . . . 0.0 111.144 -177.605 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 413' ' ' HIS . . . . . 0.472 ' N ' HD12 ' A' ' 412' ' ' LEU . 12.6 t-80 -65.22 -41.35 94.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.773 176.375 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 414' ' ' ARG . . . . . 0.645 ' HG2' ' O ' ' A' ' 411' ' ' SER . 21.5 ptt180 -74.47 -21.07 59.76 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.158 -177.343 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -69.08 -15.41 63.44 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.317 173.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.649 HD21 ' HB2' ' A' ' 425' ' ' LYS . 93.3 mt -85.91 -12.28 51.0 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -177.725 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -128.16 174.74 8.99 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.781 -0.367 . . . . 0.0 111.223 -174.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 95.4 19.63 29.59 Favored Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 -177.042 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 98.72 11.75 46.12 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 121.142 -0.552 . . . . 0.0 111.799 -179.015 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 42.7 mm -96.8 139.41 19.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.754 0.311 . . . . 0.0 110.163 -178.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 421' ' ' LYS . . . . . 0.439 ' N ' ' HD2' ' A' ' 421' ' ' LYS . 9.9 mptt -114.48 79.34 1.25 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.094 0.473 . . . . 0.0 109.747 178.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -127.11 138.36 53.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.345 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 86.2 mt -117.57 1.13 12.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.19 175.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 1.9 m -69.65 -52.3 27.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.398 0.618 . . . . 0.0 109.888 -178.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 425' ' ' LYS . . . . . 0.649 ' HB2' HD21 ' A' ' 416' ' ' LEU . 12.8 mptt -66.61 -22.69 66.12 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.791 178.417 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 426' ' ' GLU . . . . . 0.645 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 39.4 tt0 -71.23 -46.63 60.67 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.43 -178.12 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -64.46 -28.88 69.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.208 0.528 . . . . 0.0 109.804 176.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -78.26 -39.8 39.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.816 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.719 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.3 pp -62.35 -36.94 83.79 Favored 'General case' 0 CA--C 1.513 -0.473 0 C-N-CA 120.171 -0.612 . . . . 0.0 109.559 175.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 430' ' ' TRP . . . . . 0.475 ' N ' HD12 ' A' ' 429' ' ' LEU . 5.1 t90 -72.48 -29.22 63.46 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.542 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.458 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 16.2 tt0 -70.21 -49.26 52.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.343 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.528 ' HB ' ' HB3' ' A' ' 405' ' ' GLN . 14.2 m -67.52 -30.13 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 C-N-CA 120.804 -0.359 . . . . 0.0 110.266 178.092 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -67.83 -49.84 59.99 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.323 178.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 434' ' ' ARG . . . . . 0.458 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 41.2 ptt180 -63.85 -23.04 67.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.812 -177.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 435' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 431' ' ' GLU . 84.2 mt -79.58 -55.15 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 121.215 -0.194 . . . . 0.0 111.099 175.712 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 436' ' ' LEU . . . . . . . . . . . . . 4.4 pp -64.05 -34.15 77.37 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.247 -177.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 437' ' ' THR . . . . . 0.558 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 91.2 m -76.21 -46.25 29.17 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 111.595 0.22 . . . . 0.0 111.595 179.433 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -64.44 -34.92 79.32 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.754 -177.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.442 HD23 ' HB ' ' A' ' 398' ' ' ILE . 31.3 tp -69.16 -52.04 32.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.818 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 440' ' ' LYS . . . . . 0.566 ' HB3' HG13 ' A' ' 398' ' ' ILE . 64.9 pttt -61.03 -35.88 78.06 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 120.822 0.344 . . . . 0.0 110.728 -177.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 39.9 mmt180 -71.39 -53.34 14.41 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.955 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -74.5 -8.0 54.87 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -177.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 35.3 tp -96.32 -43.98 7.44 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.275 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 444' ' ' ARG . . . . . 0.562 ' HD2' ' OE1' ' A' ' 445' ' ' GLU . 9.7 ttm180 -94.43 -48.65 6.04 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.282 -0.567 . . . . 0.0 111.239 -178.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 445' ' ' GLU . . . . . 0.562 ' OE1' ' HD2' ' A' ' 444' ' ' ARG . 3.7 mm-40 -80.03 -35.07 37.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.263 0.554 . . . . 0.0 109.703 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.095 0 CA-C-N 114.196 -1.365 . . . . 0.0 111.309 179.368 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.868 0 N-CA-C 112.201 -0.36 . . . . 0.0 112.201 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 11.9 p -131.67 5.61 4.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.091 0.472 . . . . 0.0 110.985 -179.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -95.24 51.16 1.3 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.984 -174.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.42 ' O ' HD13 ' A' ' 443' ' ' LEU . 1.3 m -70.39 96.15 1.11 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.817 -178.321 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 395' ' ' GLN . . . . . 0.462 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 3.2 mm-40 -62.4 -37.64 86.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.264 0.554 . . . . 0.0 109.521 175.037 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -65.43 -12.87 56.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.71 175.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.95 -62.3 5.84 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 111.236 -0.745 . . . . 0.0 111.236 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.521 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -69.13 -34.67 64.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.67 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.37 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.605 ' O ' ' HG3' ' A' ' 403' ' ' ARG . 33.6 mmtp -58.0 -54.41 47.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.579 0.228 . . . . 0.0 111.236 -177.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -69.56 -42.28 74.78 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 120.809 0.338 . . . . 0.0 111.087 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 401' ' ' GLU . . . . . 0.546 ' HB3' HE21 ' A' ' 405' ' ' GLN . 33.8 mt-10 -62.52 -46.05 90.21 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.785 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 402' ' ' ILE . . . . . 0.455 HG22 ' O ' ' A' ' 399' ' ' LYS . 12.1 tt -64.17 -29.77 48.24 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.301 0 C-N-CA 121.346 -0.142 . . . . 0.0 110.838 -176.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.605 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 76.3 mtp180 -59.02 -48.25 82.28 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 174.231 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 404' ' ' ARG . . . . . 0.555 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 75.8 mtp180 -76.95 -38.45 53.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.913 -179.262 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 405' ' ' GLN . . . . . 0.546 HE21 ' HB3' ' A' ' 401' ' ' GLU . 73.3 mt-30 -64.86 -49.61 69.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.829 -0.169 . . . . 0.0 111.069 179.201 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -65.4 -28.75 69.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.874 0.369 . . . . 0.0 110.313 177.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.584 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.7 t80 -61.41 -58.62 7.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.527 176.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 404' ' ' ARG . 2.7 pp -72.06 -30.73 65.44 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.244 -178.086 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 409' ' ' LEU . . . . . 0.641 HD12 HG23 ' A' ' 432' ' ' VAL . 6.6 tt -60.22 -47.44 85.96 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 176.085 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 410' ' ' ASN . . . . . 0.434 ' O ' ' HG3' ' A' ' 414' ' ' ARG . 6.6 t30 -57.91 -46.82 84.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.244 177.532 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 18.6 m -60.82 -56.84 16.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.43 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.716 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 4.7 pp -66.24 -23.49 66.42 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.092 0.472 . . . . 0.0 110.656 -178.483 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -65.62 -32.35 73.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.738 174.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 414' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 410' ' ' ASN . 43.7 mtp180 -83.77 -17.58 40.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 178.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 415' ' ' ASP . . . . . 0.448 ' OD2' ' HA ' ' A' ' 412' ' ' LEU . 39.8 m-20 -73.96 -3.56 29.88 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.047 174.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 94.0 mt -82.95 1.32 40.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.59 -178.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -153.63 178.99 9.24 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.82 0.343 . . . . 0.0 111.123 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 92.47 34.76 6.85 Favored Glycine 0 N--CA 1.445 -0.739 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 -176.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 88.62 22.87 38.25 Favored Glycine 0 N--CA 1.449 -0.448 0 N-CA-C 111.699 -0.56 . . . . 0.0 111.699 -176.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 38.7 mt -129.93 133.63 64.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.719 0.295 . . . . 0.0 110.658 -177.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -123.5 84.24 2.24 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 170.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 422' ' ' ASP . . . . . 0.596 ' CG ' ' HD3' ' A' ' 425' ' ' LYS . 9.9 t0 -106.56 126.03 51.75 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.192 -173.333 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 36.4 mt -92.22 -19.86 21.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.097 0.475 . . . . 0.0 110.584 -176.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 37.4 t -72.4 -39.28 68.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.116 -177.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 425' ' ' LYS . . . . . 0.716 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 11.9 mptt -62.35 -33.13 74.12 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.836 177.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 426' ' ' GLU . . . . . 0.526 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 47.5 mt-10 -65.95 -48.78 70.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.178 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -67.3 -25.42 66.02 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.3 176.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -77.25 -44.9 28.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.63 -175.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.686 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.0 pp -62.69 -38.59 90.97 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.591 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -75.84 -29.59 58.65 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.31 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.61 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 43.2 tt0 -63.08 -56.87 13.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.161 177.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.641 HG23 HD12 ' A' ' 409' ' ' LEU . 20.8 m -68.2 -31.18 50.56 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.831 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -61.84 -46.22 90.39 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 120.888 0.375 . . . . 0.0 110.027 178.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 434' ' ' ARG . . . . . 0.61 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 17.4 ptt180 -68.66 -25.97 65.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.407 -178.198 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 435' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 431' ' ' GLU . 85.0 mt -74.28 -58.3 5.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.469 176.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 436' ' ' LEU . . . . . 0.49 HD12 ' N ' ' A' ' 437' ' ' THR . 4.3 pp -60.37 -34.95 74.61 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 121.216 -0.193 . . . . 0.0 111.174 -178.303 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 437' ' ' THR . . . . . 0.802 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 90.8 m -69.26 -49.22 58.12 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.668 -0.242 . . . . 0.0 110.84 178.236 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 438' ' ' ALA . . . . . 0.588 ' O ' ' HG2' ' A' ' 442' ' ' LYS . . . -63.4 -43.4 97.65 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.391 179.56 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 23.3 tp -60.63 -51.84 67.67 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.429 -176.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 440' ' ' LYS . . . . . 0.802 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 62.6 pttt -62.02 -32.06 72.51 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.224 0.535 . . . . 0.0 110.726 -178.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 441' ' ' ARG . . . . . 0.587 ' HG3' ' O ' ' A' ' 437' ' ' THR . 36.4 mtm180 -74.57 -46.28 39.83 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.35 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 442' ' ' LYS . . . . . 0.588 ' HG2' ' O ' ' A' ' 438' ' ' ALA . 30.9 mmmt -69.23 -22.83 63.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 111.432 -178.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.42 HD13 ' O ' ' A' ' 394' ' ' THR . 89.2 mt -91.59 -22.29 20.39 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -177.608 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 444' ' ' ARG . . . . . 0.522 ' NE ' ' HA ' ' A' ' 444' ' ' ARG . 6.6 tpm_? -111.62 -52.92 2.75 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.352 -0.539 . . . . 0.0 111.444 178.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -79.56 -35.85 39.17 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-N 114.495 -1.229 . . . . 0.0 111.277 -178.925 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.609 0 N-CA-C 112.061 -0.416 . . . . 0.0 112.061 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.99 -64.13 0.51 Allowed 'General case' 0 C--N 1.322 -0.591 0 O-C-N 122.75 -0.265 . . . . 0.0 111.531 179.052 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -90.0 128.52 36.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.798 0.333 . . . . 0.0 111.437 -175.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 2.1 p -119.02 82.54 1.88 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.413 0.625 . . . . 0.0 110.825 171.101 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -67.09 -39.95 86.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.104 179.101 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -69.45 -19.89 63.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.252 175.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.32 -60.39 6.77 Favored Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.628 178.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.496 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -66.13 -33.89 66.58 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.856 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.413 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.553 ' O ' ' HG3' ' A' ' 403' ' ' ARG . 3.5 mptp? -59.99 -44.44 94.5 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -178.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 400' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 403' ' ' ARG . 33.2 tt0 -71.25 -49.18 45.84 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.071 0.463 . . . . 0.0 110.431 177.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -62.84 -39.1 93.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.301 -177.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 402' ' ' ILE . . . . . 0.496 HD12 HD11 ' A' ' 398' ' ' ILE . 12.3 tt -70.69 -29.91 40.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 -179.519 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.581 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 97.8 mtt180 -56.1 -50.22 71.67 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 173.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 404' ' ' ARG . . . . . 0.502 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 38.3 mtp180 -74.37 -40.89 61.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.225 -178.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 405' ' ' GLN . . . . . 0.42 ' O ' ' HB2' ' A' ' 409' ' ' LEU . 44.7 mt-30 -61.87 -45.83 92.08 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.298 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 406' ' ' GLU . . . . . 0.446 ' HG3' HG12 ' A' ' 402' ' ' ILE . 43.9 mt-10 -75.31 -20.1 59.27 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.65 178.642 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.581 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.8 t80 -71.67 -49.89 35.59 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 176.195 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.686 HD11 HG11 ' A' ' 432' ' ' VAL . 3.5 pp -71.84 -29.92 64.92 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 120.774 -0.371 . . . . 0.0 110.199 176.222 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 409' ' ' LEU . . . . . 0.471 ' N ' HD12 ' A' ' 408' ' ' LEU . 27.6 tp -59.76 -44.34 93.89 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 174.151 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -59.14 -54.24 49.19 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.804 176.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 411' ' ' SER . . . . . 0.463 ' OG ' ' HA ' ' A' ' 408' ' ' LEU . 12.1 p -64.81 -48.72 73.39 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.811 -175.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.975 HD11 ' HB3' ' A' ' 429' ' ' LEU . 3.9 pp -64.66 -27.8 69.18 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 121.066 -0.254 . . . . 0.0 111.285 -178.541 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -66.52 -35.97 81.55 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.011 0.434 . . . . 0.0 110.431 174.12 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -75.21 -19.99 59.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.842 178.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 415' ' ' ASP . . . . . 0.489 ' HB2' ' HD3' ' A' ' 425' ' ' LYS . 64.3 m-20 -82.46 -0.86 48.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.555 176.746 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 412' ' ' LEU . 39.5 mt -110.71 23.78 13.78 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.977 0.417 . . . . 0.0 110.398 -178.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 417' ' ' GLN . . . . . 0.482 ' HA ' ' OE1' ' A' ' 417' ' ' GLN . 12.8 mm-40 -87.28 171.97 10.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.816 -179.209 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -56.9 113.57 4.48 Favored Glycine 0 C--N 1.335 0.508 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.666 -178.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 116.55 -16.5 14.3 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 -178.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -117.38 114.58 46.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -108.76 113.48 26.47 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.166 0.508 . . . . 0.0 110.767 -178.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -150.78 134.52 16.55 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.937 178.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 96.8 mt -108.12 -12.02 15.18 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.008 0.433 . . . . 0.0 110.667 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 12.8 t -70.16 -42.27 72.71 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.575 -177.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 425' ' ' LYS . . . . . 0.58 ' HA ' ' HB2' ' A' ' 428' ' ' ARG . 50.8 mttm -69.53 -24.02 63.67 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.389 179.288 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 426' ' ' GLU . . . . . 0.529 ' HA ' ' CD2' ' A' ' 429' ' ' LEU . 34.4 tt0 -70.36 -41.95 72.46 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 177.353 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -66.4 -31.8 72.78 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.972 172.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 428' ' ' ARG . . . . . 0.58 ' HB2' ' HA ' ' A' ' 425' ' ' LYS . 30.5 mmt180 -72.48 -43.29 63.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.409 -179.073 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.975 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.5 pp -64.97 -32.5 74.25 Favored 'General case' 0 CA--C 1.513 -0.475 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.284 -178.107 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 430' ' ' TRP . . . . . 0.407 ' N ' HD12 ' A' ' 429' ' ' LEU . 1.9 t90 -78.99 -29.89 44.06 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.249 177.158 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.559 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 40.1 tt0 -63.8 -59.7 4.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.172 178.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.686 HG11 HD11 ' A' ' 408' ' ' LEU . 24.0 m -65.29 -30.27 49.76 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.844 -179.275 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 433' ' ' GLN . . . . . 0.497 ' HB2' ' O ' ' A' ' 429' ' ' LEU . 47.7 tt0 -61.48 -51.76 67.33 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-O 121.18 0.514 . . . . 0.0 109.954 177.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 434' ' ' ARG . . . . . 0.559 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 38.5 ptt180 -69.44 -23.05 63.63 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.461 -177.146 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 435' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 431' ' ' GLU . 75.9 mt -79.15 -57.47 5.21 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.304 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.915 178.675 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 436' ' ' LEU . . . . . 0.45 HD12 ' N ' ' A' ' 437' ' ' THR . 4.6 pp -57.71 -33.77 68.75 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.745 0.307 . . . . 0.0 110.811 -179.156 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 437' ' ' THR . . . . . 0.45 ' N ' HD12 ' A' ' 436' ' ' LEU . 88.1 m -67.32 -60.12 2.85 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.776 177.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -64.16 -34.5 78.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.758 0.313 . . . . 0.0 111.074 -176.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.477 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 21.9 tp -61.12 -56.78 16.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.995 -178.547 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 440' ' ' LYS . . . . . 0.464 ' HB3' HG13 ' A' ' 398' ' ' ILE . 18.8 pttp -64.54 -27.77 69.19 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.979 0.419 . . . . 0.0 110.88 -177.071 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 441' ' ' ARG . . . . . 0.445 ' CZ ' ' HG3' ' A' ' 445' ' ' GLU . 29.1 mmm180 -71.99 -52.34 17.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.978 179.04 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -74.96 -8.43 56.47 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 -178.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 78.7 mt -98.67 -25.02 14.84 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.796 179.171 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -112.62 -37.99 4.74 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.406 -0.518 . . . . 0.0 111.641 -177.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 445' ' ' GLU . . . . . 0.445 ' HG3' ' CZ ' ' A' ' 441' ' ' ARG . 3.0 mm-40 -96.11 -7.65 35.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.983 0.42 . . . . 0.0 110.872 -171.263 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.937 0 CA-C-O 118.696 -0.669 . . . . 0.0 110.928 -178.395 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.713 0 N-CA-C 111.776 -0.53 . . . . 0.0 111.776 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 23.3 t -120.05 -24.59 5.99 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.136 0.493 . . . . 0.0 110.378 -177.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -110.17 -2.65 16.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.626 -179.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 3.1 m -65.19 106.14 1.25 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.309 -175.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -66.67 -31.78 72.68 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 175.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 396' ' ' ALA . . . . . 0.632 ' HA ' ' HB2' ' A' ' 399' ' ' LYS . . . -72.26 -4.68 31.02 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.91 176.453 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.93 -62.69 5.0 Favored Glycine 0 N--CA 1.443 -0.897 0 N-CA-C 110.794 -0.923 . . . . 0.0 110.794 177.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.607 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -68.02 -32.85 57.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 175.461 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.807 ' HA ' ' HE2' ' A' ' 399' ' ' LYS . 0.0 OUTLIER -54.18 -45.71 72.18 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.446 -179.225 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -75.03 -46.7 33.16 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.077 0.465 . . . . 0.0 111.096 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -64.69 -33.04 75.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.087 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 402' ' ' ILE . . . . . 0.607 HD12 HD11 ' A' ' 398' ' ' ILE . 12.3 tt -73.22 -27.97 25.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 178.527 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.62 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 97.3 mtt180 -53.75 -52.46 60.11 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 170.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 404' ' ' ARG . . . . . 0.481 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 38.2 mmt180 -67.25 -49.11 65.65 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.762 -1.108 . . . . 0.0 111.047 -179.086 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 405' ' ' GLN . . . . . 0.492 ' O ' ' HB2' ' A' ' 409' ' ' LEU . 22.1 mt-30 -63.34 -37.68 88.19 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -175.125 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 406' ' ' GLU . . . . . 0.497 ' HA ' ' HB3' ' A' ' 409' ' ' LEU . 43.2 mt-10 -81.77 -23.42 36.63 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.673 177.667 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.56 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 4.3 t80 -63.38 -54.08 42.35 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 176.214 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.62 HD11 HG11 ' A' ' 432' ' ' VAL . 3.1 pp -72.51 -25.65 61.48 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.862 177.208 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 409' ' ' LEU . . . . . 0.497 ' HB3' ' HA ' ' A' ' 406' ' ' GLU . 35.2 tp -61.4 -45.44 94.35 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 175.117 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -61.8 -43.47 98.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.089 174.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 411' ' ' SER . . . . . 0.432 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 30.7 m -63.37 -47.99 79.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.832 -177.641 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.874 ' HB2' ' HB3' ' A' ' 425' ' ' LYS . 3.8 pp -72.46 -23.66 61.09 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.539 -179.599 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 413' ' ' HIS . . . . . 0.505 ' N ' HD12 ' A' ' 412' ' ' LEU . 9.1 m170 -71.91 -44.7 63.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.943 0.401 . . . . 0.0 111.039 175.475 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 414' ' ' ARG . . . . . 0.432 ' HG2' ' O ' ' A' ' 411' ' ' SER . 25.5 ptt180 -72.31 -16.29 61.9 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.875 177.4 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -80.53 -26.05 38.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.703 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.789 HD21 ' HB2' ' A' ' 425' ' ' LYS . 38.2 mt -80.82 -28.81 36.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.286 0.565 . . . . 0.0 110.53 176.623 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -84.86 145.84 27.62 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.306 -176.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 107.56 16.66 12.53 Favored Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 110.774 -0.931 . . . . 0.0 110.774 -174.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 78.92 24.39 62.05 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 121.163 -0.541 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 29.4 mm -89.85 133.11 32.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.731 0.301 . . . . 0.0 110.545 -177.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -103.07 94.87 5.77 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.126 177.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 422' ' ' ASP . . . . . 0.644 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 8.9 t70 -133.88 119.75 19.54 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.543 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 85.6 mt -97.02 -11.39 24.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.01 0.433 . . . . 0.0 111.01 -176.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 424' ' ' SER . . . . . 0.452 ' O ' ' HB2' ' A' ' 428' ' ' ARG . 36.5 t -73.24 -38.66 65.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.092 -0.503 . . . . 0.0 109.845 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 425' ' ' LYS . . . . . 0.874 ' HB3' ' HB2' ' A' ' 412' ' ' LEU . 12.7 mmtp -69.5 -28.5 66.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.511 178.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 426' ' ' GLU . . . . . 0.695 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 32.7 tt0 -69.01 -51.56 37.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.137 -177.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -67.44 -26.06 66.21 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.093 178.112 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 428' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' A' ' 424' ' ' SER . 10.4 ttm180 -77.23 -39.23 49.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.785 -177.381 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.706 ' HB3' ' CD1' ' A' ' 412' ' ' LEU . 4.5 pp -65.07 -37.71 88.42 Favored 'General case' 0 CA--C 1.511 -0.549 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.102 179.281 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 430' ' ' TRP . . . . . 0.428 ' N ' HD12 ' A' ' 429' ' ' LEU . 1.8 t90 -74.45 -29.34 61.44 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.034 178.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.634 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 41.0 tt0 -61.29 -56.65 18.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.038 177.204 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.62 HG11 HD11 ' A' ' 408' ' ' LEU . 24.0 m -71.17 -32.45 47.64 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.227 -179.418 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -62.12 -48.11 81.59 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 120.852 0.358 . . . . 0.0 110.039 179.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 434' ' ' ARG . . . . . 0.634 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 13.7 ptm180 -64.3 -34.03 77.2 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.248 -177.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 435' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 431' ' ' GLU . 78.9 mt -72.09 -53.49 19.74 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.978 179.206 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 436' ' ' LEU . . . . . 0.409 HD12 ' N ' ' A' ' 437' ' ' THR . 4.6 pp -59.93 -34.44 73.22 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.724 -178.059 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 437' ' ' THR . . . . . 0.409 ' N ' HD12 ' A' ' 436' ' ' LEU . 63.0 m -71.09 -58.63 3.38 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.57 179.251 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -58.22 -41.7 84.65 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 120.844 0.354 . . . . 0.0 110.913 -175.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.448 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 37.5 tp -63.08 -55.98 20.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.099 -177.362 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 440' ' ' LYS . . . . . 0.507 ' HB3' HG13 ' A' ' 398' ' ' ILE . 18.4 pttp -66.16 -28.96 69.18 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.81 0.338 . . . . 0.0 111.33 -174.544 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -75.32 -43.28 51.67 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.617 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -17.36 61.7 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 121.152 -0.219 . . . . 0.0 111.539 179.413 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 78.9 mt -91.55 -39.37 11.95 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.534 177.032 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 444' ' ' ARG . . . . . 0.546 ' HD2' ' OE2' ' A' ' 445' ' ' GLU . 3.4 tmt_? -93.84 -38.91 11.0 Favored 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 -172.531 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 445' ' ' GLU . . . . . 0.546 ' OE2' ' HD2' ' A' ' 444' ' ' ARG . 44.6 mm-40 -85.41 12.2 8.83 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.63 0.252 . . . . 0.0 110.974 -176.613 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.943 -177.472 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.671 0 N-CA-C 112.074 -0.41 . . . . 0.0 112.074 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 4.7 p -117.78 78.1 1.21 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.212 0.53 . . . . 0.0 110.878 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 393' ' ' GLU . . . . . 0.426 ' HA ' HD22 ' A' ' 443' ' ' LEU . 1.4 mp0 -58.96 102.76 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.742 178.272 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 2.7 m -116.43 108.53 16.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.146 -179.126 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 395' ' ' GLN . . . . . 0.432 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 15.0 mm100 -70.36 -36.42 74.16 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 178.281 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -65.13 -19.02 65.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.849 173.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 397' ' ' GLY . . . . . 0.435 ' O ' ' HG2' ' A' ' 401' ' ' GLU . . . -62.96 -58.18 12.96 Favored Glycine 0 N--CA 1.444 -0.826 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.49 177.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.403 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -66.7 -29.63 47.06 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.59 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -178.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.561 ' O ' HG22 ' A' ' 402' ' ' ILE . 20.9 mmtp -63.79 -47.93 78.96 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.56 177.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -68.74 -42.59 77.38 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 121.036 0.446 . . . . 0.0 110.476 177.158 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 401' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 397' ' ' GLY . 7.8 mm-40 -59.1 -52.05 67.4 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.606 177.293 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 402' ' ' ILE . . . . . 0.776 HG13 HD13 ' A' ' 436' ' ' LEU . 10.5 tt -59.16 -30.3 43.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.619 -175.724 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.604 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 80.0 mtp180 -61.03 -57.28 13.28 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.691 -0.403 . . . . 0.0 110.299 175.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 404' ' ' ARG . . . . . 0.455 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 23.8 ptt180 -77.84 -22.17 50.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.865 -176.476 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 405' ' ' GLN . . . . . 0.514 ' CB ' HD11 ' A' ' 436' ' ' LEU . 16.1 mm100 -84.41 -44.7 13.46 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.408 0.151 . . . . 0.0 111.408 -179.448 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 406' ' ' GLU . . . . . 0.434 ' CG ' HG12 ' A' ' 402' ' ' ILE . 25.0 mm-40 -65.0 -25.94 68.07 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 172.754 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.604 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 0.9 OUTLIER -59.45 -58.43 8.65 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.73 -1.123 . . . . 0.0 109.959 176.687 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.5 ' HA ' ' OG ' ' A' ' 411' ' ' SER . 2.0 pp -75.2 -25.41 58.18 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.319 -178.498 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 409' ' ' LEU . . . . . 0.524 ' O ' ' HB2' ' A' ' 413' ' ' HIS . 6.1 tt -60.18 -46.23 90.4 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 173.684 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -62.59 -49.0 76.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.014 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 411' ' ' SER . . . . . 0.5 ' OG ' ' HA ' ' A' ' 408' ' ' LEU . 30.0 p -63.74 -45.87 87.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.521 0.2 . . . . 0.0 111.374 -177.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.726 ' HB2' ' HD2' ' A' ' 425' ' ' LYS . 2.6 pp -69.49 -26.98 64.82 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.074 177.399 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 413' ' ' HIS . . . . . 0.524 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 3.3 t60 -71.15 -39.98 71.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.89 0.376 . . . . 0.0 110.535 176.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 414' ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' A' ' 411' ' ' SER . 11.6 ptm180 -77.48 -9.14 58.73 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.918 0.389 . . . . 0.0 110.144 178.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 415' ' ' ASP . . . . . 0.407 ' HB3' ' O ' ' A' ' 412' ' ' LEU . 30.6 t70 -66.84 -22.11 66.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.876 172.423 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.896 HD21 ' HB2' ' A' ' 425' ' ' LYS . 31.7 mt -78.83 -32.79 46.3 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.667 176.749 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -79.17 131.59 36.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.215 -173.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 122.13 1.11 10.48 Favored Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.373 -174.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 87.19 35.94 9.29 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 121.075 -0.583 . . . . 0.0 111.658 -178.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 31.0 mm -95.46 131.2 42.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.841 0.353 . . . . 0.0 110.522 -175.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -91.39 74.55 6.07 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.928 0.394 . . . . 0.0 110.269 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 422' ' ' ASP . . . . . 0.461 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 9.9 t0 -123.99 112.75 17.56 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 176.201 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 7.4 mp -95.25 -16.68 22.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.286 0.565 . . . . 0.0 110.134 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 35.3 m -64.34 -39.68 94.37 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.125 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 425' ' ' LYS . . . . . 0.896 ' HB2' HD21 ' A' ' 416' ' ' LEU . 36.4 mmtm -61.97 -32.44 72.89 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.124 178.768 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 426' ' ' GLU . . . . . 0.462 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 41.2 mt-10 -66.03 -43.93 86.16 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.404 0.621 . . . . 0.0 109.653 -179.595 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -68.89 -32.52 72.22 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.953 176.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 428' ' ' ARG . . . . . 0.477 ' O ' HG12 ' A' ' 432' ' ' VAL . 32.6 mmt180 -74.19 -45.76 46.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.365 -177.397 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.644 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.2 pp -61.38 -33.58 73.9 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 178.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -76.1 -34.71 59.52 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 120.064 -0.655 . . . . 0.0 110.447 178.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.501 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 37.2 tt0 -59.57 -57.34 13.4 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.535 177.134 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.477 HG12 ' O ' ' A' ' 428' ' ' ARG . 4.1 p -63.15 -35.35 71.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.671 -179.628 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -65.0 -48.53 73.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.308 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 434' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 15.4 ptm180 -67.61 -30.43 70.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.956 -175.269 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 435' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 431' ' ' GLU . 88.4 mt -69.25 -53.48 25.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 177.585 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 436' ' ' LEU . . . . . 0.776 HD13 HG13 ' A' ' 402' ' ' ILE . 96.6 mt -57.56 -42.82 83.79 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.344 178.191 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 437' ' ' THR . . . . . 1.069 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 78.6 m -62.85 -57.97 9.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.909 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -58.74 -43.97 90.36 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 120.595 0.236 . . . . 0.0 111.152 -176.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.601 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 53.9 tp -56.4 -61.38 2.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.381 -176.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 440' ' ' LYS . . . . . 1.069 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 46.9 pttt -58.68 -31.62 68.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.026 0.441 . . . . 0.0 111.322 -176.098 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 441' ' ' ARG . . . . . 0.562 ' HG2' ' O ' ' A' ' 437' ' ' THR . 24.2 mmt180 -70.44 -54.1 13.73 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.789 -179.6 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 442' ' ' LYS . . . . . 0.451 ' HE3' ' HA ' ' A' ' 439' ' ' LEU . 11.7 pttp -77.69 4.25 11.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.908 0.385 . . . . 0.0 111.301 -177.624 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 65.3 mt -89.23 -49.54 6.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.627 170.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 444' ' ' ARG . . . . . 0.441 HH11 ' HD3' ' A' ' 444' ' ' ARG . 27.6 ttt180 -99.84 -33.21 10.64 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -173.281 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -91.65 11.9 22.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.956 0.408 . . . . 0.0 110.782 -175.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.413 -0.803 . . . . 0.0 110.256 178.598 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.773 0 N-CA-C 111.78 -0.528 . . . . 0.0 111.78 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 14.7 p -100.65 -166.11 1.28 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.823 0.312 . . . . 0.0 110.835 -179.109 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 69.15 9.06 7.19 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.252 0.621 . . . . 0.0 110.882 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.41 ' O ' HD21 ' A' ' 443' ' ' LEU . 12.5 p -91.05 66.4 5.78 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.736 177.18 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 395' ' ' GLN . . . . . 0.438 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 20.0 tp60 -61.99 -37.67 85.7 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.244 0.545 . . . . 0.0 109.55 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 396' ' ' ALA . . . . . 0.442 ' HA ' ' HB2' ' A' ' 399' ' ' LYS . . . -67.76 -11.56 58.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.824 175.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.76 -59.53 9.57 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 177.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.558 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -68.45 -29.53 44.42 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.882 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.442 ' HB2' ' HA ' ' A' ' 396' ' ' ALA . 33.6 mmtp -58.31 -48.67 79.76 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.352 -0.539 . . . . 0.0 111.09 178.19 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -69.57 -48.11 61.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.084 0.469 . . . . 0.0 110.603 177.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -62.81 -38.9 92.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.668 -177.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 402' ' ' ILE . . . . . 0.558 HD12 HD11 ' A' ' 398' ' ' ILE . 10.4 tt -68.35 -36.01 73.23 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.487 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 -179.262 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.681 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 86.9 mtt180 -59.6 -47.53 85.2 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.956 178.177 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -77.25 -25.72 51.81 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.484 -176.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 405' ' ' GLN . . . . . 0.544 ' O ' ' HB2' ' A' ' 409' ' ' LEU . 44.0 mt-30 -85.24 -38.35 19.01 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.159 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -67.74 -22.24 65.24 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 170.147 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.681 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 25.9 t80 -68.12 -57.08 6.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.197 -0.91 . . . . 0.0 111.17 -178.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.635 HD21 HG11 ' A' ' 432' ' ' VAL . 1.9 pt? -76.65 -23.2 53.28 Favored 'General case' 0 C--O 1.22 -0.484 0 C-N-CA 119.82 -0.752 . . . . 0.0 109.686 -178.446 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 409' ' ' LEU . . . . . 0.544 ' HB2' ' O ' ' A' ' 405' ' ' GLN . 4.4 tt -63.68 -42.91 97.97 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 173.573 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 410' ' ' ASN . . . . . 0.467 ' HB3' ' O ' ' A' ' 407' ' ' PHE . 46.5 t30 -57.29 -48.58 78.56 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.065 172.556 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 20.1 t -63.09 -48.6 77.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.696 -178.496 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.972 ' HB2' ' HB3' ' A' ' 425' ' ' LYS . 4.5 pp -68.59 -24.72 64.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.165 -0.334 . . . . 0.0 111.49 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 413' ' ' HIS . . . . . 0.422 ' N ' HD12 ' A' ' 412' ' ' LEU . 0.3 OUTLIER -67.21 -44.09 80.44 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 176.338 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -71.77 -16.42 62.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.013 0.435 . . . . 0.0 110.518 175.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -80.24 -17.24 52.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.557 175.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.678 HD21 ' HB2' ' A' ' 425' ' ' LYS . 95.1 mt -87.02 1.59 52.35 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.321 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -120.51 156.06 32.31 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 122.327 -0.233 . . . . 0.0 110.411 -177.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 104.58 26.42 6.49 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.828 177.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 72.3 35.56 60.2 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.544 -176.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 49.9 mm -96.31 119.77 44.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.867 0.365 . . . . 0.0 110.559 -176.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 8.2 tptp -90.87 65.04 5.65 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.345 0.593 . . . . 0.0 109.639 178.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 422' ' ' ASP . . . . . 0.478 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 10.0 t70 -117.25 123.2 46.02 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.791 -178.513 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 86.5 mt -108.41 -6.39 16.23 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.507 0.67 . . . . 0.0 109.336 178.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 43.5 t -67.25 -47.17 71.52 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.345 -177.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 425' ' ' LYS . . . . . 0.972 ' HB3' ' HB2' ' A' ' 412' ' ' LEU . 30.3 mmtm -64.87 -23.84 67.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.927 0.394 . . . . 0.0 110.358 -178.782 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 426' ' ' GLU . . . . . 0.64 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 32.7 tt0 -71.39 -47.63 54.91 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.745 -177.719 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -64.74 -35.4 80.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.404 0.621 . . . . 0.0 109.579 176.085 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -73.36 -37.32 66.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.749 -175.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.867 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.5 pp -65.99 -35.0 79.38 Favored 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 177.203 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -71.77 -31.97 67.18 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.353 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.559 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 10.6 tp10 -66.56 -50.19 63.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.231 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.635 HG11 HD21 ' A' ' 408' ' ' LEU . 19.2 m -69.31 -31.92 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.571 178.334 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -63.74 -50.89 67.32 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.001 0.429 . . . . 0.0 110.043 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 434' ' ' ARG . . . . . 0.559 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 3.6 ptm180 -61.69 -34.17 75.29 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.39 -177.497 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 435' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 431' ' ' GLU . 82.5 mt -69.76 -58.65 4.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.692 -0.231 . . . . 0.0 111.475 178.285 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 436' ' ' LEU . . . . . 0.47 HD12 ' N ' ' A' ' 437' ' ' THR . 4.6 pp -60.98 -30.64 70.39 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.701 0.286 . . . . 0.0 111.255 -177.76 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 437' ' ' THR . . . . . 0.507 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 63.7 m -74.94 -54.5 7.11 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.101 178.556 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -63.44 -31.8 73.07 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.761 -176.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 45.3 tp -66.81 -59.39 3.58 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.863 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 440' ' ' LYS . . . . . 0.531 ' HB3' HG13 ' A' ' 398' ' ' ILE . 61.3 pttt -59.99 -33.54 72.11 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.784 0.326 . . . . 0.0 111.36 -175.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 441' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 441' ' ' ARG . 10.3 mmm180 -64.87 -64.64 0.82 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.434 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 442' ' ' LYS . . . . . 0.535 ' HD2' ' N ' ' A' ' 442' ' ' LYS . 3.2 mptp? -75.87 -5.91 48.28 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.551 -173.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.41 HD21 ' O ' ' A' ' 394' ' ' THR . 50.0 tp -83.58 -29.44 27.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.144 0.497 . . . . 0.0 109.679 172.664 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -95.75 -34.42 11.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.51 179.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 445' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 441' ' ' ARG . 45.9 mt-10 -80.83 0.44 34.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.394 -175.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.842 0 CA-C-O 118.446 -0.787 . . . . 0.0 110.559 179.064 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.795 0 N-CA-C 112.385 -0.286 . . . . 0.0 112.385 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 49.2 m 54.12 41.32 32.06 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.193 0.521 . . . . 0.0 111.496 178.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -116.88 131.7 56.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.547 -176.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 6.8 m -141.09 105.49 4.85 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.662 178.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -63.35 -28.97 70.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.095 0.474 . . . . 0.0 110.041 174.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 396' ' ' ALA . . . . . 0.551 ' HA ' ' HB3' ' A' ' 399' ' ' LYS . . . -70.05 -5.33 25.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.559 173.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -66.82 -64.98 2.99 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 177.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.567 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -64.56 -30.48 50.32 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 176.712 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.63 ' O ' ' HG3' ' A' ' 403' ' ' ARG . 15.5 tppt? -56.2 -54.06 49.77 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.66 177.683 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -68.04 -46.07 72.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.261 0.553 . . . . 0.0 110.369 -178.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 401' ' ' GLU . . . . . 0.405 ' HB3' ' NE2' ' A' ' 405' ' ' GLN . 48.6 mt-10 -60.81 -44.27 97.08 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.978 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 402' ' ' ILE . . . . . 0.567 HD12 HD11 ' A' ' 398' ' ' ILE . 10.3 tt -65.59 -28.88 45.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 O-C-N 122.971 0.169 . . . . 0.0 111.062 -177.636 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.63 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 61.2 mtp180 -60.41 -51.96 67.27 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 175.002 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 404' ' ' ARG . . . . . 0.4 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 15.6 mmm180 -69.86 -40.08 75.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.815 179.604 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 405' ' ' GLN . . . . . 0.476 ' HB3' ' CG2' ' A' ' 432' ' ' VAL . 67.4 mt-30 -68.72 -49.99 54.35 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.447 -176.025 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 406' ' ' GLU . . . . . 0.457 ' HG2' HG12 ' A' ' 402' ' ' ILE . 11.1 mm-40 -63.25 -30.99 72.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.968 0.414 . . . . 0.0 109.916 176.016 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.588 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 1.4 t80 -62.27 -52.65 62.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.085 177.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.59 HD12 ' N ' ' A' ' 409' ' ' LEU . 3.5 pp -73.82 -33.8 64.32 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.37 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 409' ' ' LEU . . . . . 0.691 ' O ' ' HB2' ' A' ' 413' ' ' HIS . 4.1 tt -59.53 -46.44 88.85 Favored 'General case' 0 C--O 1.225 -0.233 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 176.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.6 -48.98 79.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.557 177.102 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 411' ' ' SER . . . . . 0.518 ' OG ' ' HA ' ' A' ' 408' ' ' LEU . 9.7 p -67.07 -43.05 83.64 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -176.542 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.736 HD11 ' HB3' ' A' ' 429' ' ' LEU . 4.4 pp -72.8 -23.51 60.8 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 120.226 -0.59 . . . . 0.0 110.388 176.6 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 413' ' ' HIS . . . . . 0.691 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 3.2 t-160 -67.66 -30.63 70.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.389 0.614 . . . . 0.0 109.617 173.749 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -85.62 -14.87 44.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.377 175.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 415' ' ' ASP . . . . . 0.603 ' HB2' ' HA ' ' A' ' 412' ' ' LEU . 5.1 t70 -73.72 -19.91 60.67 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.111 178.6 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.755 HD21 ' HB2' ' A' ' 425' ' ' LYS . 48.9 mt -85.0 -5.17 59.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.791 178.095 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -116.58 169.44 9.34 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.782 -174.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 88.98 15.36 59.41 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.548 -175.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 87.0 34.14 11.27 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.151 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 43.7 mm -110.5 135.33 49.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.557 0.218 . . . . 0.0 110.567 -177.157 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -115.76 83.72 1.98 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.95 0.405 . . . . 0.0 111.097 176.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 422' ' ' ASP . . . . . 0.587 ' OD2' ' HG2' ' A' ' 425' ' ' LYS . 26.2 t70 -119.9 129.06 54.19 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.943 175.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 7.2 mp -93.59 -11.31 32.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.174 0.512 . . . . 0.0 110.128 -178.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 1.6 m -66.44 -51.82 52.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.581 -178.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 425' ' ' LYS . . . . . 0.755 ' HB2' HD21 ' A' ' 416' ' ' LEU . 69.7 mmtt -63.2 -25.74 68.48 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.207 -179.376 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 426' ' ' GLU . . . . . 0.553 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 50.6 mt-10 -66.33 -50.4 63.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.252 0.548 . . . . 0.0 110.011 179.348 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -66.37 -29.59 69.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.371 0.605 . . . . 0.0 109.948 176.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 428' ' ' ARG . . . . . 0.626 ' O ' HG12 ' A' ' 432' ' ' VAL . 15.5 mmt180 -75.89 -43.42 45.48 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.323 -176.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.736 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.5 pp -61.57 -32.45 72.54 Favored 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 178.708 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 430' ' ' TRP . . . . . 0.411 ' N ' HD12 ' A' ' 429' ' ' LEU . 2.9 t90 -77.13 -33.48 56.78 Favored 'General case' 0 N--CA 1.438 -1.045 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.57 178.273 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.439 ' O ' HG13 ' A' ' 435' ' ' ILE . 9.5 tp10 -64.11 -56.49 14.48 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -179.271 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.626 HG12 ' O ' ' A' ' 428' ' ' ARG . 2.6 p -60.57 -34.92 60.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.136 178.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -64.43 -50.99 65.4 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.592 -177.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 434' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -69.54 -27.76 65.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.104 -175.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 435' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 431' ' ' GLU . 79.5 mt -69.19 -55.22 16.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 121.296 -0.162 . . . . 0.0 111.135 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 436' ' ' LEU . . . . . 0.417 ' HB3' ' OE1' ' A' ' 405' ' ' GLN . 3.9 pp -61.66 -40.02 93.42 Favored 'General case' 0 C--O 1.225 -0.232 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 62.2 m -63.89 -49.11 73.97 Favored 'General case' 0 N--CA 1.455 -0.188 0 O-C-N 123.316 0.385 . . . . 0.0 111.027 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.13 -51.22 70.02 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.825 0.345 . . . . 0.0 110.408 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 50.0 tp -59.11 -53.97 52.27 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.626 -176.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 440' ' ' LYS . . . . . 0.505 ' HB3' HG13 ' A' ' 398' ' ' ILE . 21.6 ptmt -58.3 -36.56 73.51 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.137 0.494 . . . . 0.0 111.325 -175.646 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -72.4 -49.99 29.71 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.241 -177.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -77.79 -8.9 58.67 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.378 -178.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 53.1 tp -89.86 -53.56 4.44 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.637 0.256 . . . . 0.0 110.849 177.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -78.79 -40.19 33.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.924 0.393 . . . . 0.0 111.033 -176.119 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -94.72 35.04 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.144 -173.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.427 -0.797 . . . . 0.0 109.919 176.419 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.557 0 N-CA-C 111.999 -0.441 . . . . 0.0 111.999 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 49.5 m -104.83 145.68 30.04 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.77 0.319 . . . . 0.0 110.297 177.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -67.1 90.63 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.947 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.433 ' O ' HD13 ' A' ' 443' ' ' LEU . 3.8 m -88.86 104.74 17.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.729 0.299 . . . . 0.0 111.061 179.332 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -66.78 -32.34 73.56 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 175.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -68.71 -16.78 63.92 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.245 175.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.77 -58.71 11.0 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 178.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.597 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -71.05 -32.63 48.76 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.627 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 177.002 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.885 ' HA ' ' HE2' ' A' ' 399' ' ' LYS . 0.1 OUTLIER -56.59 -50.23 72.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.829 0.347 . . . . 0.0 110.88 -177.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -70.47 -46.25 64.16 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.177 0.513 . . . . 0.0 110.278 -178.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -65.76 -35.24 80.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.943 -177.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 402' ' ' ILE . . . . . 0.597 HD12 HD11 ' A' ' 398' ' ' ILE . 12.6 tt -70.5 -30.09 41.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 -179.422 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.628 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 77.9 mtp180 -60.94 -44.81 96.72 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 173.511 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 404' ' ' ARG . . . . . 0.487 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 63.6 mtt85 -68.34 -50.1 55.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.984 178.383 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 405' ' ' GLN . . . . . 0.556 ' O ' ' HB2' ' A' ' 409' ' ' LEU . 90.8 mt-30 -65.59 -39.59 91.75 Favored 'General case' 0 C--O 1.221 -0.447 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -175.517 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -77.12 -22.77 52.17 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 119.961 -0.696 . . . . 0.0 110.613 177.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.628 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 4.7 t80 -66.94 -52.91 37.27 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 176.177 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.667 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.9 pp -71.54 -27.04 62.91 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.803 177.503 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 409' ' ' LEU . . . . . 0.556 ' HB2' ' O ' ' A' ' 405' ' ' GLN . 6.0 tt -61.78 -46.88 87.64 Favored 'General case' 0 C--O 1.223 -0.325 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 174.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -58.1 -41.51 83.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.615 176.132 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 411' ' ' SER . . . . . 0.592 ' O ' ' HG3' ' A' ' 414' ' ' ARG . 25.1 t -63.54 -59.82 4.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.687 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 3.5 pp -65.14 -23.75 67.22 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 122.054 -0.404 . . . . 0.0 111.032 -178.7 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 413' ' ' HIS . . . . . 0.5 ' N ' HD12 ' A' ' 412' ' ' LEU . 11.8 t-160 -63.01 -41.15 99.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.776 173.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 414' ' ' ARG . . . . . 0.592 ' HG3' ' O ' ' A' ' 411' ' ' SER . 5.5 ppt_? -81.87 -10.17 59.38 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.848 -177.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 415' ' ' ASP . . . . . 0.609 ' HB2' ' HG2' ' A' ' 425' ' ' LYS . 42.7 m-20 -78.53 -3.32 43.06 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.221 172.555 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 96.1 mt -90.82 1.77 56.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.184 0.516 . . . . 0.0 110.386 176.009 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 417' ' ' GLN . . . . . 0.51 ' OE1' ' HA ' ' A' ' 414' ' ' ARG . 37.9 mt-30 -101.25 153.7 19.4 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.556 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 118.95 -4.07 14.27 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.155 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 85.17 13.93 70.23 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.869 -0.682 . . . . 0.0 111.899 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 26.9 pt -95.66 150.96 4.04 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.851 0 CA-C-O 120.846 0.355 . . . . 0.0 111.338 -178.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -98.51 91.24 5.07 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.545 176.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 422' ' ' ASP . . . . . 0.631 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 10.0 t70 -106.94 123.01 47.56 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 177.726 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 7.0 mp -94.0 -27.75 16.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.036 0.446 . . . . 0.0 110.467 -176.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 424' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 428' ' ' ARG . 28.0 t -65.67 -50.16 65.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.709 -174.48 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 425' ' ' LYS . . . . . 0.687 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 10.1 mptt -64.1 -32.1 73.53 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.562 -176.201 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 426' ' ' GLU . . . . . 0.713 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 38.1 tt0 -78.84 -48.5 14.61 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.076 -174.235 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -63.96 -29.82 70.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.273 176.518 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 428' ' ' ARG . . . . . 0.538 ' HA ' ' HB3' ' A' ' 431' ' ' GLU . 70.8 mtt180 -85.26 -26.93 26.35 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -177.439 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.713 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 3.9 pp -63.95 -37.41 87.32 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 119.573 -0.851 . . . . 0.0 108.776 172.547 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -78.82 -30.27 45.23 Favored 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.2 177.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.538 ' HB3' ' HA ' ' A' ' 428' ' ' ARG . 37.0 tt0 -62.09 -55.54 27.93 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.564 178.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 19.9 m -68.22 -27.65 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.834 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 433' ' ' GLN . . . . . 0.407 ' HA ' ' HG ' ' A' ' 436' ' ' LEU . 35.7 tt0 -69.41 -44.0 72.28 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.613 179.23 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 434' ' ' ARG . . . . . 0.515 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 20.3 ptt180 -68.37 -26.76 65.74 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 178.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 435' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 431' ' ' GLU . 81.0 mt -73.21 -54.88 14.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.693 175.679 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 436' ' ' LEU . . . . . 0.591 HD12 ' N ' ' A' ' 437' ' ' THR . 4.3 pp -60.53 -33.86 73.26 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.776 0.322 . . . . 0.0 111.222 -178.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 437' ' ' THR . . . . . 0.68 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 98.1 m -74.06 -51.41 15.86 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.767 179.596 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -58.99 -43.03 91.38 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.837 0.351 . . . . 0.0 110.673 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.474 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 39.7 tp -62.06 -53.13 59.83 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.874 -177.229 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 440' ' ' LYS . . . . . 0.687 ' O ' ' HG2' ' A' ' 444' ' ' ARG . 62.3 pttt -62.44 -34.25 76.42 Favored 'General case' 0 CA--C 1.521 -0.165 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.031 -177.093 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 441' ' ' ARG . . . . . 0.553 ' HG2' ' O ' ' A' ' 437' ' ' THR . 31.0 mmm180 -67.29 -52.19 43.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.825 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 18.1 mttp -64.23 -20.11 65.82 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -178.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 78.9 mt -87.8 -34.08 18.4 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -178.64 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 444' ' ' ARG . . . . . 0.687 ' HG2' ' O ' ' A' ' 440' ' ' LYS . 14.2 ptm180 -99.03 -34.85 10.24 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -176.413 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 445' ' ' GLU . . . . . 0.519 ' HG2' ' HG3' ' A' ' 444' ' ' ARG . 26.7 mm-40 -90.58 25.69 2.23 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.899 0.38 . . . . 0.0 110.526 -177.454 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.443 -0.789 . . . . 0.0 110.412 -179.084 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.848 0 N-CA-C 111.601 -0.599 . . . . 0.0 111.601 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 6.1 t -107.68 94.89 5.33 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 172.323 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 393' ' ' GLU . . . . . 0.418 ' HB3' HD22 ' A' ' 443' ' ' LEU . 7.2 mm-40 -69.65 130.05 41.33 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.926 -169.498 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 3.9 m -126.61 112.76 15.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.575 -178.364 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -65.48 -35.31 80.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.109 0.481 . . . . 0.0 109.871 178.413 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -66.22 -17.01 64.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.619 174.236 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.47 -57.27 17.29 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.826 179.898 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.555 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -70.83 -36.27 63.73 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 178.631 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.687 ' HA ' ' HE2' ' A' ' 399' ' ' LYS . 0.1 OUTLIER -56.43 -57.03 14.05 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -176.052 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -72.21 -36.92 69.31 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.976 0.417 . . . . 0.0 111.182 -178.272 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 401' ' ' GLU . . . . . 0.521 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 33.3 mm-40 -69.56 -37.42 77.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.725 179.935 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 402' ' ' ILE . . . . . 0.593 HG22 ' O ' ' A' ' 399' ' ' LYS . 13.7 tt -67.48 -28.87 43.6 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.374 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 -179.745 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.551 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 81.2 mtp180 -61.2 -45.78 93.18 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 171.928 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -64.89 -45.84 84.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.723 175.716 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 405' ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 48.1 mt-30 -61.77 -54.24 45.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.966 -178.298 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 406' ' ' GLU . . . . . 0.473 ' HG3' HG12 ' A' ' 402' ' ' ILE . 45.1 mt-10 -67.16 -22.04 65.78 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.785 0.326 . . . . 0.0 111.102 -178.433 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.551 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 4.3 t80 -64.1 -55.81 19.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.792 176.661 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.52 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.3 pp -72.81 -28.4 62.54 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 178.096 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 409' ' ' LEU . . . . . 0.45 ' N ' HD12 ' A' ' 408' ' ' LEU . 6.9 tt -58.81 -53.18 61.29 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 176.417 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -58.71 -38.73 78.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.844 177.767 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 11.0 t -61.59 -61.63 2.38 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.825 179.803 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.601 ' HA ' ' OD2' ' A' ' 415' ' ' ASP . 4.3 pp -68.0 -21.42 65.04 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 120.896 0.379 . . . . 0.0 111.258 -177.854 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 18.3 t-160 -66.93 -32.85 74.38 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 174.21 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 74.9 mtt180 -86.37 -12.39 49.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.269 179.728 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 415' ' ' ASP . . . . . 0.601 ' OD2' ' HA ' ' A' ' 412' ' ' LEU . 7.2 m-20 -65.69 -20.83 66.44 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.74 0.305 . . . . 0.0 110.601 170.217 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 74.8 mt -83.52 -17.25 42.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.445 179.6 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -94.94 145.47 24.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.8 -172.215 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 107.55 18.94 9.66 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -175.823 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 76.89 30.23 56.15 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.265 -0.493 . . . . 0.0 112.3 -177.778 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 46.6 mm -94.05 122.21 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.873 0.368 . . . . 0.0 110.79 -177.313 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -93.48 81.4 4.37 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 177.885 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -109.48 138.77 45.35 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.632 178.682 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -103.64 -32.0 9.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.94 0.4 . . . . 0.0 110.617 -178.856 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 424' ' ' SER . . . . . 0.517 ' O ' ' HB2' ' A' ' 428' ' ' ARG . 33.1 t -68.63 -44.56 73.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.784 -175.574 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 425' ' ' LYS . . . . . 0.441 ' CG ' ' HB2' ' A' ' 412' ' ' LEU . 0.0 OUTLIER -65.16 -35.63 81.69 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.574 -177.689 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 426' ' ' GLU . . . . . 0.668 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 11.5 tp10 -64.52 -54.37 33.42 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.279 0.561 . . . . 0.0 110.073 -178.734 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -63.43 -26.29 68.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.582 176.839 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 428' ' ' ARG . . . . . 0.553 ' HA ' ' HE ' ' A' ' 428' ' ' ARG . 0.3 OUTLIER -74.29 -43.17 57.92 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.764 -177.381 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.668 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.5 pp -63.95 -34.87 78.95 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.398 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 430' ' ' TRP . . . . . 0.419 ' N ' HD12 ' A' ' 429' ' ' LEU . 2.7 t90 -74.32 -30.45 62.05 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 120.188 -0.605 . . . . 0.0 110.374 178.003 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.477 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 9.5 tp10 -61.57 -58.14 9.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.199 0.523 . . . . 0.0 109.901 176.529 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.41 ' CG2' ' HB3' ' A' ' 405' ' ' GLN . 7.7 p -63.8 -33.94 65.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.931 -179.594 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -64.21 -47.53 79.39 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-O 120.878 0.371 . . . . 0.0 110.609 179.811 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 434' ' ' ARG . . . . . 0.477 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 36.5 ptt180 -68.83 -24.9 64.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.03 -175.665 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 435' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 431' ' ' GLU . 80.5 mt -73.75 -56.35 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.516 0.198 . . . . 0.0 110.798 176.626 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 436' ' ' LEU . . . . . 0.495 HD12 ' N ' ' A' ' 437' ' ' THR . 4.3 pp -60.91 -33.27 72.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.022 -178.911 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 437' ' ' THR . . . . . 0.727 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 76.4 m -70.87 -50.62 33.13 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.621 0.248 . . . . 0.0 111.047 178.744 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.22 -41.32 96.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.842 0.353 . . . . 0.0 111.053 -177.476 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.552 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 41.9 tp -63.64 -53.16 55.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.377 -177.091 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 440' ' ' LYS . . . . . 0.727 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 60.0 pttt -63.21 -30.11 71.32 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.084 0.469 . . . . 0.0 111.091 -177.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -73.27 -46.25 51.0 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.425 -179.303 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 442' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 439' ' ' LEU . 0.0 OUTLIER -73.8 -10.54 59.78 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.376 -0.53 . . . . 0.0 111.338 179.699 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 69.4 mt -92.24 -25.57 18.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.654 0.264 . . . . 0.0 111.203 176.043 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -107.28 -46.02 3.97 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -176.246 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -82.12 2.8 29.66 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.864 0.364 . . . . 0.0 110.679 -173.929 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.591 -0.719 . . . . 0.0 111.037 -179.603 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.765 0 N-CA-C 112.363 -0.295 . . . . 0.0 112.363 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 50.5 m -99.03 21.44 11.7 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.987 0.422 . . . . 0.0 111.206 -177.017 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -77.59 74.2 4.15 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 177.068 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 2.4 p -96.6 102.27 14.02 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.303 0.573 . . . . 0.0 112.517 -175.491 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 395' ' ' GLN . . . . . 0.456 ' O ' ' HB2' ' A' ' 399' ' ' LYS . 10.8 mm100 -67.35 -32.29 73.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.312 172.277 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -65.56 -19.58 65.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.489 174.32 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.47 -56.17 21.26 Favored Glycine 0 N--CA 1.45 -0.394 0 N-CA-C 111.582 -0.607 . . . . 0.0 111.582 178.316 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.525 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -71.86 -32.52 44.83 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.716 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 175.451 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' A' ' 395' ' ' GLN . 7.3 tppt? -56.76 -48.57 77.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.676 0.274 . . . . 0.0 110.956 -178.911 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 400' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' A' ' 404' ' ' ARG . 39.7 tt0 -67.63 -45.24 75.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.848 0.356 . . . . 0.0 110.781 178.28 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -64.49 -43.91 92.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.0 -0.546 . . . . 0.0 112.03 -179.161 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 402' ' ' ILE . . . . . 0.525 HD12 HD11 ' A' ' 398' ' ' ILE . 13.8 tt -65.28 -30.67 50.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 -177.686 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.583 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 97.3 mtt180 -60.3 -51.55 69.07 Favored 'General case' 0 C--O 1.225 -0.205 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 172.252 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 404' ' ' ARG . . . . . 0.605 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 68.2 mtp180 -63.44 -50.45 69.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.556 -179.91 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 405' ' ' GLN . . . . . 0.45 ' O ' ' HB2' ' A' ' 409' ' ' LEU . 80.5 mt-30 -66.54 -43.74 84.31 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.284 -173.584 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -74.62 -24.43 58.85 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 119.832 -0.747 . . . . 0.0 110.581 178.429 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.583 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.6 t80 -66.74 -53.44 33.24 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 175.887 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' A' ' 404' ' ' ARG . 3.1 pp -70.55 -30.86 67.69 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.008 179.293 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 409' ' ' LEU . . . . . 0.534 HD12 HG23 ' A' ' 432' ' ' VAL . 7.3 tt -60.57 -50.02 75.21 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 175.713 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -58.6 -42.69 88.69 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.155 178.315 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 411' ' ' SER . . . . . 0.595 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 27.9 m -65.87 -53.91 33.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.129 -179.263 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.861 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 4.4 pp -66.05 -21.71 66.39 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.17 0.51 . . . . 0.0 110.548 -179.422 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 13.7 t-160 -65.79 -39.47 90.98 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.428 175.349 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 414' ' ' ARG . . . . . 0.595 ' HG2' ' O ' ' A' ' 411' ' ' SER . 17.7 ptt180 -76.67 -16.88 59.42 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.396 -0.521 . . . . 0.0 110.803 179.069 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 415' ' ' ASP . . . . . 0.583 ' OD2' ' HA ' ' A' ' 412' ' ' LEU . 64.2 m-20 -63.88 -25.86 68.35 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.575 0.226 . . . . 0.0 111.093 172.069 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.441 HD21 ' HB2' ' A' ' 425' ' ' LYS . 64.8 mt -81.75 -27.92 33.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.167 0.508 . . . . 0.0 110.986 -179.592 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -84.14 146.87 27.64 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.998 -174.778 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 108.24 8.91 28.53 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.316 -0.713 . . . . 0.0 111.316 -176.085 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 81.37 35.73 22.45 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 121.025 -0.607 . . . . 0.0 111.853 -178.898 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 46.0 mm -94.56 128.35 45.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.719 0.295 . . . . 0.0 110.691 -176.875 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -91.58 87.2 6.26 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.099 0.476 . . . . 0.0 109.846 176.959 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 422' ' ' ASP . . . . . 0.485 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 11.6 t70 -133.99 119.67 19.31 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.63 178.298 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 88.3 mt -98.09 -8.01 28.53 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.947 -179.793 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 36.9 t -73.96 -51.53 15.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.9 -177.808 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 425' ' ' LYS . . . . . 0.861 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 3.5 mptp? -58.54 -36.96 74.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.047 179.105 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 426' ' ' GLU . . . . . 0.652 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 8.7 tp10 -62.7 -53.72 50.14 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.283 -177.866 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -64.45 -26.2 68.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.837 177.956 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -78.06 -37.95 45.51 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.99 -177.835 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.84 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.2 pp -64.56 -39.29 93.48 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 120.32 -0.552 . . . . 0.0 109.663 177.686 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 430' ' ' TRP . . . . . 0.402 ' N ' HD12 ' A' ' 429' ' ' LEU . 2.0 t90 -76.58 -25.38 53.93 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 120.306 -0.558 . . . . 0.0 110.377 178.531 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.444 ' O ' HG13 ' A' ' 435' ' ' ILE . 38.7 tt0 -61.91 -61.94 2.14 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.534 HG23 HD12 ' A' ' 409' ' ' LEU . 34.7 m -66.95 -30.15 48.64 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.307 -178.047 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -62.58 -46.6 87.58 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 121.141 0.496 . . . . 0.0 110.355 -178.588 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 434' ' ' ARG . . . . . . . . . . . . . 40.4 ptt180 -77.13 -25.05 51.67 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.457 -178.889 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 435' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 431' ' ' GLU . 76.2 mt -68.89 -53.3 27.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.96 175.584 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 436' ' ' LEU . . . . . 0.523 HD22 HG13 ' A' ' 402' ' ' ILE . 4.5 pp -61.7 -30.32 70.67 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.753 0.311 . . . . 0.0 110.772 179.2 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 437' ' ' THR . . . . . 0.87 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 93.2 m -68.93 -56.74 6.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.778 176.487 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 438' ' ' ALA . . . . . 0.541 ' O ' ' HD2' ' A' ' 442' ' ' LYS . . . -61.67 -35.95 79.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.081 -179.386 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 31.3 tp -60.85 -53.04 62.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.024 -178.059 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 440' ' ' LYS . . . . . 0.87 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 53.2 pttt -62.84 -25.11 68.11 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.849 -0.341 . . . . 0.0 110.884 -179.572 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 441' ' ' ARG . . . . . 0.608 ' HA ' ' HE ' ' A' ' 441' ' ' ARG . 0.8 OUTLIER -63.05 -57.62 10.04 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.615 177.545 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 442' ' ' LYS . . . . . 0.541 ' HD2' ' O ' ' A' ' 438' ' ' ALA . 0.0 OUTLIER -75.91 -9.76 58.87 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.315 -0.554 . . . . 0.0 111.653 -177.231 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 74.0 mt -99.11 -5.21 30.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.57 177.862 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -125.15 -41.51 2.07 Favored 'General case' 0 CA--C 1.528 0.11 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 178.366 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 445' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' A' ' 441' ' ' ARG . 18.8 mm-40 -76.42 4.03 9.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.685 0.279 . . . . 0.0 111.048 -176.091 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.551 -0.737 . . . . 0.0 110.402 179.553 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.707 0 N-CA-C 111.961 -0.455 . . . . 0.0 111.961 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 40.7 t -92.34 -64.51 1.1 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 177.267 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 393' ' ' GLU . . . . . 0.434 ' HB2' HD21 ' A' ' 443' ' ' LEU . 0.4 OUTLIER -136.75 156.73 48.12 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 176.556 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 6.6 p -120.95 114.31 21.36 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -172.464 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -70.63 -35.49 72.95 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 173.3 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -70.96 -14.78 62.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.796 175.35 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.82 -63.09 4.25 Favored Glycine 0 N--CA 1.442 -0.939 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.176 178.309 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.614 ' HB ' HD23 ' A' ' 439' ' ' LEU . 9.1 tp -66.77 -22.84 30.21 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.735 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 178.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.544 ' O ' HG22 ' A' ' 402' ' ' ILE . 1.6 tppp? -59.51 -55.55 33.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.115 0.483 . . . . 0.0 110.431 175.234 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -73.49 -39.03 65.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.456 179.478 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 401' ' ' GLU . . . . . 0.489 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 46.3 mt-10 -62.83 -39.47 94.43 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.961 178.314 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 402' ' ' ILE . . . . . 0.546 ' HB ' ' O ' ' A' ' 398' ' ' ILE . 9.1 tt -68.93 -29.59 43.88 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.543 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 -178.356 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.59 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 74.3 mtp180 -58.71 -46.05 88.2 Favored 'General case' 0 C--O 1.228 -0.073 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 171.554 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 -67.67 -46.38 72.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.147 178.339 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 405' ' ' GLN . . . . . 0.489 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 45.4 mt-30 -67.13 -49.96 63.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.674 -176.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 406' ' ' GLU . . . . . 0.462 ' HG2' HG12 ' A' ' 402' ' ' ILE . 7.3 mm-40 -61.88 -29.18 70.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.897 0.379 . . . . 0.0 110.062 177.883 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.59 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 4.2 t80 -62.44 -54.23 43.25 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.113 179.386 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.593 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.3 pp -77.35 -27.35 52.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.382 -179.33 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 409' ' ' LEU . . . . . 0.538 ' O ' ' HB2' ' A' ' 413' ' ' HIS . 5.0 tt -61.48 -45.08 95.75 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 175.339 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 410' ' ' ASN . . . . . 0.446 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 14.2 t-20 -59.4 -47.36 85.73 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.376 177.581 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 411' ' ' SER . . . . . 0.434 ' HA ' ' HG2' ' A' ' 414' ' ' ARG . 23.8 p -65.85 -48.76 70.52 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -177.049 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.739 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 4.4 pp -69.1 -20.66 64.07 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 119.892 -0.723 . . . . 0.0 110.973 177.056 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 413' ' ' HIS . . . . . 0.538 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 1.8 t60 -73.76 -42.12 61.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.218 176.046 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 414' ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' A' ' 410' ' ' ASN . 13.6 ptm180 -76.69 -8.86 58.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.842 0.353 . . . . 0.0 111.104 179.59 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -67.45 -21.79 65.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.997 169.859 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 54.6 mt -83.16 21.84 1.05 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.774 -178.631 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -118.22 146.04 44.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.173 178.801 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 88.32 -112.03 3.85 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.815 -179.285 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -110.57 89.3 0.54 Allowed Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 177.356 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 56.6 mt -61.1 107.53 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.222 0.534 . . . . 0.0 111.819 -175.16 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -121.64 34.04 5.32 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 122.176 0.989 . . . . 0.0 108.825 174.892 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 422' ' ' ASP . . . . . 0.767 ' HB3' ' HB2' ' A' ' 425' ' ' LYS . 2.6 m-20 -149.93 84.02 1.4 Allowed 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 113.385 -1.734 . . . . 0.0 110.548 -175.726 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -81.59 -29.75 33.21 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 176.328 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 424' ' ' SER . . . . . 0.549 ' O ' ' HG2' ' A' ' 428' ' ' ARG . 70.9 m -70.13 -18.54 63.23 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.021 178.266 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 425' ' ' LYS . . . . . 0.767 ' HB2' ' HB3' ' A' ' 422' ' ' ASP . 0.9 OUTLIER -64.08 -33.33 75.51 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.243 0.544 . . . . 0.0 109.923 174.27 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 426' ' ' GLU . . . . . 0.661 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 44.5 tt0 -75.25 -39.12 60.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.467 178.577 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.451 ' OE2' ' HA ' ' A' ' 424' ' ' SER . 34.6 mt-10 -60.25 -31.38 70.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.817 172.815 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 428' ' ' ARG . . . . . 0.549 ' HG2' ' O ' ' A' ' 424' ' ' SER . 12.3 mmm180 -74.07 -45.44 49.37 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.278 -178.271 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.661 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.3 pp -60.8 -31.81 71.19 Favored 'General case' 0 C--O 1.224 -0.26 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.319 179.248 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -72.05 -37.11 69.75 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 120.743 0.306 . . . . 0.0 110.989 179.805 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 5.5 tp10 -62.63 -54.54 38.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.451 0.643 . . . . 0.0 109.548 179.721 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 8.2 p -66.72 -32.84 59.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.982 -179.378 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 433' ' ' GLN . . . . . 0.551 ' HB2' ' O ' ' A' ' 429' ' ' LEU . 5.2 tp-100 -59.43 -50.8 72.54 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.399 0.619 . . . . 0.0 109.966 179.216 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 434' ' ' ARG . . . . . 0.493 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 4.5 ptm180 -64.59 -33.61 76.32 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.666 -174.809 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 435' ' ' ILE . . . . . . . . . . . . . 83.5 mt -68.4 -56.06 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.019 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 436' ' ' LEU . . . . . 0.489 HD12 ' N ' ' A' ' 437' ' ' THR . 4.5 pp -64.1 -34.21 77.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.811 -177.848 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 437' ' ' THR . . . . . 0.489 ' N ' HD12 ' A' ' 436' ' ' LEU . 84.0 m -67.29 -48.32 68.0 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.695 -0.23 . . . . 0.0 110.737 178.313 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.94 -43.38 98.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.805 0.336 . . . . 0.0 111.075 -178.072 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.614 HD23 ' HB ' ' A' ' 398' ' ' ILE . 36.4 tp -72.32 -50.23 28.47 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.48 -175.776 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 440' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 436' ' ' LEU . 62.1 pttt -66.9 -28.19 68.11 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.651 -173.689 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 -82.36 -38.5 24.09 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.57 0.224 . . . . 0.0 111.088 -179.496 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -73.58 -27.64 61.42 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.797 177.565 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.508 ' HB2' ' O ' ' A' ' 439' ' ' LEU . 0.2 OUTLIER -78.12 -51.01 10.91 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.991 -179.886 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -78.06 -43.17 29.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.814 -172.74 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -84.5 34.42 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.928 0.394 . . . . 0.0 111.023 -174.016 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.569 -0.729 . . . . 0.0 110.113 177.64 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 391' ' ' GLY . . . . . 0.401 ' HA2' ' HA ' ' A' ' 444' ' ' ARG . . . . . . . . 0 N--CA 1.481 1.655 0 N-CA-C 111.781 -0.528 . . . . 0.0 111.781 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 2.0 p -89.26 -46.15 8.99 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.681 0.276 . . . . 0.0 111.495 -179.681 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 393' ' ' GLU . . . . . 0.477 ' HB2' HD11 ' A' ' 443' ' ' LEU . 32.5 mt-10 -123.07 -157.52 0.75 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.685 179.745 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 31.8 p -66.12 99.48 0.52 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 121.262 0.553 . . . . 0.0 112.27 -173.127 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -71.27 -26.95 63.11 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 173.734 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 396' ' ' ALA . . . . . 0.416 ' HA ' ' HB2' ' A' ' 399' ' ' LYS . . . -70.63 -16.38 62.82 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.237 172.283 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.23 -55.03 28.45 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.7 176.875 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.577 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -67.32 -33.88 65.47 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.846 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.007 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.64 ' O ' ' HG3' ' A' ' 403' ' ' ARG . 0.2 OUTLIER -58.86 -44.52 91.05 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.294 178.568 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -63.82 -57.1 10.92 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-O 121.195 0.521 . . . . 0.0 110.102 175.27 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 401' ' ' GLU . . . . . 0.453 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 47.6 mt-10 -55.95 -49.27 73.99 Favored 'General case' 0 C--O 1.213 -0.839 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.919 -178.208 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 402' ' ' ILE . . . . . 0.577 HD12 HD11 ' A' ' 398' ' ' ILE . 12.2 tt -60.08 -33.99 55.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -173.755 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.64 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 69.8 mtm180 -59.77 -47.68 84.7 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 120.269 -0.572 . . . . 0.0 109.457 174.619 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -77.93 -30.61 50.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.281 -178.43 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 405' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 98.5 mt-30 -71.78 -46.79 57.18 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.553 179.355 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -69.96 -22.78 63.13 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.534 -0.466 . . . . 0.0 109.916 176.333 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.517 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.9 t80 -63.69 -54.23 38.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.446 174.353 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.502 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.3 pp -71.08 -31.17 67.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.057 177.683 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 409' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 408' ' ' LEU . 6.5 tt -59.14 -50.94 72.13 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 175.795 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 410' ' ' ASN . . . . . 0.486 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 8.4 t30 -61.4 -41.69 97.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.242 177.184 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 39.9 t -57.97 -58.15 9.68 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.062 179.116 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.629 ' O ' ' HB2' ' A' ' 415' ' ' ASP . 4.5 pp -69.52 -18.73 63.7 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.988 -179.813 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 413' ' ' HIS . . . . . 0.427 ' O ' ' HG3' ' A' ' 417' ' ' GLN . 19.6 t-160 -75.03 -32.92 61.69 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 173.877 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 414' ' ' ARG . . . . . 0.486 ' HG2' ' O ' ' A' ' 410' ' ' ASN . 36.3 mmt180 -63.35 -30.72 71.8 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.292 176.525 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 415' ' ' ASP . . . . . 0.629 ' HB2' ' O ' ' A' ' 412' ' ' LEU . 0.4 OUTLIER -45.03 -47.39 11.64 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.955 174.501 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.532 ' HA ' ' HB ' ' A' ' 420' ' ' ILE . 0.4 OUTLIER -103.34 25.8 9.14 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.336 -174.84 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 417' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' A' ' 413' ' ' HIS . 49.8 mt-30 -118.31 159.97 22.47 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.891 0.376 . . . . 0.0 111.114 178.809 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 91.45 -34.63 4.24 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.933 -178.503 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 150.13 45.06 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 179.41 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 420' ' ' ILE . . . . . 0.532 ' HB ' ' HA ' ' A' ' 416' ' ' LEU . 17.7 mm -124.4 151.19 29.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 -175.681 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -117.15 99.29 6.94 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.855 0.36 . . . . 0.0 110.474 176.746 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 422' ' ' ASP . . . . . 0.46 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 9.9 t0 -135.94 108.68 7.52 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 177.777 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 92.1 mt -85.92 -20.0 29.66 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.165 -176.795 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 16.1 t -67.06 -46.89 72.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.51 -177.932 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 425' ' ' LYS . . . . . 0.496 ' HB2' HD22 ' A' ' 416' ' ' LEU . 15.9 mmtm -71.81 -28.18 63.42 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.805 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 426' ' ' GLU . . . . . 0.647 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 34.9 tt0 -66.48 -49.22 67.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.383 -178.526 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.32 -24.14 62.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.151 0.5 . . . . 0.0 110.035 177.649 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -76.68 -44.95 31.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.428 -178.685 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.2 pp -59.99 -34.2 73.0 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.084 0.469 . . . . 0.0 109.751 177.267 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -72.53 -29.47 63.62 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.181 179.806 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.63 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 37.3 tt0 -77.09 -44.41 30.66 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.864 179.627 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.442 HG12 ' HA ' ' A' ' 429' ' ' LEU . 10.8 p -68.63 -28.82 41.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 C-N-CA 120.327 -0.549 . . . . 0.0 109.925 177.425 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -67.38 -45.74 75.36 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.362 178.471 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 434' ' ' ARG . . . . . 0.63 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 35.8 ptt180 -63.98 -32.37 73.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.566 -177.945 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 435' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 431' ' ' GLU . 73.9 mt -66.82 -55.42 18.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.739 -0.21 . . . . 0.0 111.14 178.623 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 436' ' ' LEU . . . . . 0.42 HD12 ' N ' ' A' ' 437' ' ' THR . 4.5 pp -62.38 -32.02 72.77 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.786 0.327 . . . . 0.0 110.67 -179.008 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 437' ' ' THR . . . . . 0.805 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 70.6 m -68.79 -56.25 8.62 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.362 178.052 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -62.34 -42.27 99.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.077 -176.967 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.517 ' O ' ' HB2' ' A' ' 443' ' ' LEU . 38.3 tp -57.33 -57.5 12.36 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.388 -178.494 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 440' ' ' LYS . . . . . 0.805 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 59.3 pttt -61.17 -35.8 78.09 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.83 0.348 . . . . 0.0 111.569 -175.044 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 441' ' ' ARG . . . . . 0.486 ' HG2' ' O ' ' A' ' 437' ' ' THR . 10.4 mmm180 -74.05 -50.02 21.55 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -177.684 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -75.01 -9.65 58.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.312 -178.375 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.517 ' HB2' ' O ' ' A' ' 439' ' ' LEU . 9.5 tp -98.05 -20.21 17.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.167 0.508 . . . . 0.0 110.599 177.682 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 444' ' ' ARG . . . . . 0.401 ' HA ' ' HA2' ' A' ' 391' ' ' GLY . 56.2 ttt180 -98.16 -52.8 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.145 179.266 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -80.89 -7.77 59.56 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.453 -171.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.365 -0.826 . . . . 0.0 110.247 -179.135 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.481 0 N-CA-C 112.0 -0.44 . . . . 0.0 112.0 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 29.5 t -84.71 -43.08 14.64 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.789 0.328 . . . . 0.0 110.521 -178.263 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -93.71 105.84 17.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.567 -176.036 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 3.3 p -98.88 104.51 16.56 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.359 0.6 . . . . 0.0 111.314 -179.772 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -65.64 -40.93 93.05 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.607 178.384 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -69.44 -16.29 63.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.421 176.347 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.7 -60.27 7.59 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.655 178.899 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.546 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -63.15 -36.78 77.36 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.665 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.449 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.641 ' O ' ' HG3' ' A' ' 403' ' ' ARG . 0.9 OUTLIER -58.64 -50.47 73.74 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 120.886 -0.326 . . . . 0.0 111.687 -179.404 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -69.35 -47.83 63.15 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-O 121.1 0.476 . . . . 0.0 110.448 179.777 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 401' ' ' GLU . . . . . 0.444 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 48.7 mt-10 -60.14 -44.34 95.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.962 -179.085 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 402' ' ' ILE . . . . . 0.546 HD12 HD11 ' A' ' 398' ' ' ILE . 12.1 tt -66.37 -30.35 49.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.87 -176.664 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.641 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 76.9 mtt180 -56.47 -51.04 69.94 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 173.739 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 404' ' ' ARG . . . . . 0.442 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 13.3 mmt180 -75.24 -39.57 59.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.764 -176.568 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 405' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 89.4 mt-30 -68.07 -43.09 79.41 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -178.351 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 406' ' ' GLU . . . . . 0.504 ' HA ' ' HB3' ' A' ' 409' ' ' LEU . 73.1 mt-10 -76.65 -19.18 58.06 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.162 176.911 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.584 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 4.3 t80 -63.72 -59.03 5.1 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 173.114 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.727 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.0 pp -68.35 -28.43 67.12 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.676 179.052 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 409' ' ' LEU . . . . . 0.504 ' HB3' ' HA ' ' A' ' 406' ' ' GLU . 51.7 tp -60.17 -44.72 94.8 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 174.718 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -66.46 -35.66 80.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.318 176.845 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 47.3 m -63.68 -58.07 8.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.795 177.644 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.727 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 2.0 pp -71.25 -11.16 60.77 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 -177.141 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 413' ' ' HIS . . . . . 0.469 ' CD2' HD22 ' A' ' 429' ' ' LEU . 7.1 m170 -78.73 -30.94 46.12 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.069 0.461 . . . . 0.0 109.879 171.355 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 -82.97 -7.65 59.64 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.167 0.508 . . . . 0.0 110.028 173.051 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 415' ' ' ASP . . . . . 0.652 ' O ' HG21 ' A' ' 420' ' ' ILE . 84.9 m-20 -83.01 -4.8 58.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.284 169.957 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 412' ' ' LEU . 97.6 mt -109.08 32.06 5.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.798 0.332 . . . . 0.0 111.004 -177.535 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -72.21 178.26 3.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.032 0.444 . . . . 0.0 111.422 179.051 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -63.38 124.46 31.72 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.685 -178.251 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 106.57 -6.21 38.33 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.888 179.847 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 420' ' ' ILE . . . . . 0.652 HG21 ' O ' ' A' ' 415' ' ' ASP . 49.0 mm -89.84 133.07 32.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.898 0.38 . . . . 0.0 110.881 -179.606 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 29.4 mtmm -122.61 44.92 2.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.862 0.839 . . . . 0.0 109.632 178.697 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 422' ' ' ASP . . . . . 0.53 ' H ' HG22 ' A' ' 420' ' ' ILE . 4.1 m-20 -103.88 94.44 5.42 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.712 -1.131 . . . . 0.0 111.484 -175.2 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 423' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 423' ' ' LEU . 4.2 mm? -81.44 -17.13 49.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.63 -179.87 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 14.1 t -61.7 -42.46 98.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.101 0.477 . . . . 0.0 110.116 177.753 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 425' ' ' LYS . . . . . 0.455 ' HD3' ' HB3' ' A' ' 415' ' ' ASP . 54.1 mttm -70.41 -29.61 66.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.49 178.4 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 426' ' ' GLU . . . . . 0.683 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 9.6 tp10 -65.38 -53.14 47.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.245 -178.093 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -66.22 -29.83 70.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.437 177.822 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -70.68 -44.44 66.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.674 -177.409 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.683 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 3.9 pp -63.26 -37.92 89.14 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.465 -178.579 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -70.04 -34.73 73.62 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.788 -178.624 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.617 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 5.5 tp10 -62.21 -51.81 66.3 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.398 0.618 . . . . 0.0 109.935 178.539 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.416 HG21 HD11 ' A' ' 408' ' ' LEU . 14.7 p -69.83 -34.17 59.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.572 -179.442 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -64.3 -48.77 74.38 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.018 179.617 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 434' ' ' ARG . . . . . 0.617 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 7.4 ptm180 -60.4 -36.65 78.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.41 -175.626 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 435' ' ' ILE . . . . . . . . . . . . . 86.7 mt -67.71 -57.56 9.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.312 179.412 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 436' ' ' LEU . . . . . 0.488 ' HB2' HG13 ' A' ' 402' ' ' ILE . 4.3 pp -59.98 -34.35 73.19 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 121.154 -0.218 . . . . 0.0 110.616 -178.169 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 437' ' ' THR . . . . . 0.737 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 77.3 m -71.87 -54.93 8.55 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.202 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -65.26 -35.93 82.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.714 0.292 . . . . 0.0 111.1 -174.695 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.536 HD23 ' HB ' ' A' ' 398' ' ' ILE . 31.9 tp -66.42 -52.92 41.55 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.411 -178.352 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 440' ' ' LYS . . . . . 0.737 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 59.9 pttt -64.66 -29.74 70.74 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 120.576 -0.449 . . . . 0.0 111.098 -176.376 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 441' ' ' ARG . . . . . 0.537 ' HG2' ' O ' ' A' ' 437' ' ' THR . 38.6 mmt180 -73.51 -46.0 50.49 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.413 179.6 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -75.97 -12.87 60.22 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.84 0.352 . . . . 0.0 111.3 -179.133 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 22.9 tp -98.54 -19.6 17.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.988 -179.459 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 24.8 ttt180 -109.84 -51.79 2.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.021 0.438 . . . . 0.0 111.569 -178.187 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -127.48 39.03 3.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.503 -167.301 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.349 -0.834 . . . . 0.0 110.772 178.01 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.614 0 N-CA-C 112.1 -0.4 . . . . 0.0 112.1 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 49.0 m -103.33 -3.54 25.43 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.973 0.416 . . . . 0.0 110.624 -178.158 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -78.68 135.91 37.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.421 -179.898 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 22.8 p -134.11 66.56 1.54 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.633 0.73 . . . . 0.0 110.896 173.92 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 395' ' ' GLN . . . . . 0.629 ' O ' ' HD3' ' A' ' 399' ' ' LYS . 15.8 mm100 -66.89 -41.48 87.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.369 175.594 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -62.68 -25.26 68.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.689 173.727 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.58 -60.1 7.42 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.194 -0.912 . . . . 0.0 112.237 179.376 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.519 ' HB ' HD23 ' A' ' 439' ' ' LEU . 0.0 OUTLIER -64.73 -32.88 59.9 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.578 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 -177.271 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.629 ' HD3' ' O ' ' A' ' 395' ' ' GLN . 2.1 mptm? -62.42 -49.4 75.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.075 0.464 . . . . 0.0 110.783 179.032 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -67.96 -47.0 69.83 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-O 121.454 0.645 . . . . 0.0 110.106 179.02 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -62.36 -46.08 90.26 Favored 'General case' 0 C--O 1.214 -0.798 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.053 -179.69 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 402' ' ' ILE . . . . . 0.827 HG13 HD13 ' A' ' 436' ' ' LEU . 11.6 tt -58.82 -28.34 37.5 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.336 0 CA-C-N 117.837 0.29 . . . . 0.0 110.42 -178.379 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.624 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 18.9 mtp180 -60.36 -57.25 13.58 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.548 -0.461 . . . . 0.0 109.829 173.235 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 404' ' ' ARG . . . . . 0.461 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 31.7 ptt180 -75.18 -21.22 58.89 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.605 -178.056 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 405' ' ' GLN . . . . . 0.522 ' HG3' HD21 ' A' ' 436' ' ' LEU . 11.6 mm100 -79.04 -53.12 7.33 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.729 -0.214 . . . . 0.0 111.043 -179.948 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 406' ' ' GLU . . . . . 0.436 ' O ' ' HB3' ' A' ' 410' ' ' ASN . 8.7 mm-40 -61.56 -24.93 66.99 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 175.087 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.624 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 7.0 t80 -60.56 -59.12 5.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.733 -1.122 . . . . 0.0 110.348 175.924 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.531 HD12 ' N ' ' A' ' 409' ' ' LEU . 2.4 pp -75.49 -28.69 59.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.936 -179.086 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 409' ' ' LEU . . . . . 0.531 ' N ' HD12 ' A' ' 408' ' ' LEU . 7.4 tt -61.87 -48.64 79.61 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 176.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 410' ' ' ASN . . . . . 0.493 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 0.0 OUTLIER -61.86 -39.24 91.2 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 177.952 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 35.4 t -60.95 -58.9 6.48 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.565 179.825 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.721 ' HB2' ' HE3' ' A' ' 425' ' ' LYS . 4.4 pp -67.92 -19.85 65.03 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.044 -178.779 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 413' ' ' HIS . . . . . 0.42 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 2.1 t60 -74.13 -28.64 61.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.067 0.46 . . . . 0.0 109.974 175.438 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 414' ' ' ARG . . . . . 0.493 ' HG2' ' O ' ' A' ' 410' ' ' ASN . 13.5 mmt180 -71.23 -29.83 65.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.98 175.584 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 415' ' ' ASP . . . . . 0.45 ' CB ' ' HE2' ' A' ' 425' ' ' LYS . 34.6 m-20 -68.83 4.08 1.65 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.849 178.461 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.617 HD21 ' HB2' ' A' ' 425' ' ' LYS . 83.8 mt -108.74 -1.81 19.09 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.891 0.377 . . . . 0.0 110.702 176.972 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -127.47 155.48 43.64 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.231 0.539 . . . . 0.0 111.199 -174.793 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 100.72 25.16 8.74 Favored Glycine 0 N--CA 1.444 -0.83 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.402 -177.738 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 79.68 30.08 45.51 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.622 -177.246 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 48.6 mm -105.84 135.84 42.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 -178.026 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -110.38 122.51 47.87 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.156 0.503 . . . . 0.0 110.155 177.895 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -165.37 137.96 4.33 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.502 178.952 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.8 mp -113.04 -12.39 13.21 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.312 -177.625 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 424' ' ' SER . . . . . 0.42 ' O ' ' HB2' ' A' ' 428' ' ' ARG . 42.7 m -86.95 -31.87 20.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.608 0.242 . . . . 0.0 110.933 -174.256 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 425' ' ' LYS . . . . . 0.721 ' HE3' ' HB2' ' A' ' 412' ' ' LEU . 21.6 mmmt -70.12 -29.91 66.97 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.758 -0.831 . . . . 0.0 108.758 175.102 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 426' ' ' GLU . . . . . 0.643 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 0.5 OUTLIER -66.97 -50.88 60.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.258 179.194 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -60.82 -29.89 69.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.587 175.684 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 428' ' ' ARG . . . . . 0.447 ' O ' HG23 ' A' ' 432' ' ' VAL . 34.9 ttm-85 -74.34 -46.76 38.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.727 -174.913 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.689 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.1 pp -61.83 -33.15 73.62 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 120.796 0.332 . . . . 0.0 110.307 178.605 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -68.44 -36.49 79.1 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 120.699 -0.401 . . . . 0.0 110.203 -179.371 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.63 ' HA ' ' HG2' ' A' ' 434' ' ' ARG . 26.2 tt0 -67.77 -43.65 79.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.048 176.593 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 428' ' ' ARG . 58.2 t -57.48 -45.62 85.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.893 0.377 . . . . 0.0 110.002 176.76 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -64.28 -49.94 69.88 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.776 -179.267 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 434' ' ' ARG . . . . . 0.63 ' HG2' ' HA ' ' A' ' 431' ' ' GLU . 18.6 ptt180 -63.12 -33.2 74.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.196 -175.46 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 435' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 431' ' ' GLU . 68.2 mt -68.03 -48.06 76.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.831 176.703 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 436' ' ' LEU . . . . . 0.827 HD13 HG13 ' A' ' 402' ' ' ILE . 96.0 mt -58.7 -45.76 88.78 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 120.72 0.295 . . . . 0.0 110.594 178.95 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 437' ' ' THR . . . . . 0.655 ' O ' ' HG2' ' A' ' 441' ' ' ARG . 53.9 m -58.63 -62.71 1.66 Allowed 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.583 176.714 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 438' ' ' ALA . . . . . 0.602 ' O ' ' HD3' ' A' ' 442' ' ' LYS . . . -60.04 -32.61 71.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.588 -174.111 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.519 HD23 ' HB ' ' A' ' 398' ' ' ILE . 25.1 tp -63.08 -61.75 2.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.743 -176.297 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 440' ' ' LYS . . . . . 0.455 ' HB3' HG21 ' A' ' 398' ' ' ILE . 60.5 pttt -65.25 -37.85 88.49 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -173.295 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 441' ' ' ARG . . . . . 0.655 ' HG2' ' O ' ' A' ' 437' ' ' THR . 13.7 mmm180 -59.4 -52.9 63.64 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.956 0.408 . . . . 0.0 110.675 -177.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 442' ' ' LYS . . . . . 0.602 ' HD3' ' O ' ' A' ' 438' ' ' ALA . 3.8 mptp? -76.36 -36.61 58.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.076 -177.516 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 439' ' ' LEU . 11.1 mp -88.07 9.49 22.37 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -175.923 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -112.07 -68.03 0.96 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.145 0.498 . . . . 0.0 110.66 170.743 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -109.14 35.14 3.38 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.281 -165.487 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 446' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 442' ' ' LYS . . . . . . . . 0 C--O 1.243 0.748 0 CA-C-O 118.531 -0.747 . . . . 0.0 109.763 175.224 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.752 0 N-CA-C 112.018 -0.433 . . . . 0.0 112.018 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 19.6 m 63.14 -85.34 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 123.454 0.701 . . . . 0.0 111.283 -178.977 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 393' ' ' GLU . . . . . 0.801 ' HB3' HD21 ' A' ' 443' ' ' LEU . 7.1 tp10 -93.81 -15.11 25.43 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.199 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 15.1 m 71.83 124.84 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.344 -0.843 . . . . 0.0 111.739 178.114 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 395' ' ' GLN . . . . . 0.482 ' OE1' ' HB2' ' A' ' 444' ' ' ARG . 25.6 tp60 -61.89 -39.76 93.09 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.329 0.585 . . . . 0.0 109.526 175.966 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -63.5 -17.29 62.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.879 174.68 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.5 -57.41 13.0 Favored Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.654 179.632 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.732 HD13 HD23 ' A' ' 439' ' ' LEU . 6.2 tp -69.86 -22.0 24.5 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.503 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 178.299 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.44 ' HD3' ' HA ' ' A' ' 399' ' ' LYS . 15.8 tppt? -58.77 -58.42 8.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.605 0.24 . . . . 0.0 110.619 174.495 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -69.98 -38.48 76.06 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 120.986 0.422 . . . . 0.0 110.974 -179.946 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 401' ' ' GLU . . . . . 0.577 ' HB2' ' HA ' ' A' ' 398' ' ' ILE . 59.4 mm-40 -55.61 -49.27 73.25 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.212 174.438 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 402' ' ' ILE . . . . . 0.721 ' HB ' ' O ' ' A' ' 398' ' ' ILE . 0.3 OUTLIER -61.89 -30.26 48.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.371 -176.535 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.572 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 57.6 mtt180 -57.77 -53.44 58.13 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 174.122 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 34.5 mtm105 -70.68 -43.24 69.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.497 -179.273 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 405' ' ' GLN . . . . . 0.461 ' NE2' ' HB3' ' A' ' 401' ' ' GLU . 75.5 mt-30 -65.81 -45.17 83.34 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -178.275 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 406' ' ' GLU . . . . . 0.442 ' HG3' HG12 ' A' ' 402' ' ' ILE . 36.3 mt-10 -75.44 -18.4 59.9 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.627 178.49 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.572 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 4.5 t80 -65.31 -55.74 16.56 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 174.818 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.566 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.8 pp -71.68 -29.09 64.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.769 178.132 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 409' ' ' LEU . . . . . 0.576 ' HA ' HD12 ' A' ' 412' ' ' LEU . 6.4 tt -60.53 -46.9 88.45 Favored 'General case' 0 CA--C 1.523 -0.086 0 N-CA-C 109.03 -0.729 . . . . 0.0 109.03 175.431 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -58.45 -39.94 81.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.952 178.444 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 20.8 m -59.86 -45.97 90.77 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 120.797 0.332 . . . . 0.0 111.204 177.508 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.583 ' HB2' ' HB3' ' A' ' 429' ' ' LEU . 9.3 mt -64.96 -44.97 87.66 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-O 121.985 0.898 . . . . 0.0 109.834 177.037 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -62.89 -38.1 89.57 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.127 -1.397 . . . . 0.0 111.207 -177.304 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 414' ' ' ARG . . . . . 0.492 ' NE ' ' HA ' ' A' ' 414' ' ' ARG . 3.4 mmp_? -82.81 -19.12 38.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.343 -179.468 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -58.56 -41.74 86.33 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.354 0.597 . . . . 0.0 109.89 177.005 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 19.6 mt -63.88 -29.69 70.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.761 -179.741 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 417' ' ' GLN . . . . . 0.533 ' HB2' HG12 ' A' ' 420' ' ' ILE . 48.1 mt-30 52.23 -98.25 0.07 Allowed 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.394 -177.014 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -126.35 -48.59 0.19 Allowed Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.697 178.227 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -141.16 36.18 1.76 Allowed Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.614 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 420' ' ' ILE . . . . . 0.533 HG12 ' HB2' ' A' ' 417' ' ' GLN . 32.3 mm -73.33 135.22 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 178.574 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 50.1 mttp -82.28 73.41 9.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.187 -177.722 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 422' ' ' ASP . . . . . 0.5 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 16.3 t0 -140.51 114.31 8.9 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 174.323 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 423' ' ' LEU . . . . . 0.409 HD22 ' N ' ' A' ' 423' ' ' LEU . 2.7 mm? -99.76 -13.15 19.4 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.226 0.536 . . . . 0.0 110.168 -177.186 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 32.7 t -75.37 -39.9 58.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.112 -176.8 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 425' ' ' LYS . . . . . 0.5 ' HG2' ' OD1' ' A' ' 422' ' ' ASP . 22.9 mmtp -62.89 -33.75 75.96 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.296 178.385 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 426' ' ' GLU . . . . . 0.56 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 0.7 OUTLIER -67.57 -52.93 32.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.822 -176.547 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -62.4 -30.11 70.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.788 177.571 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -77.59 -49.12 15.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.423 -176.289 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.583 ' HB3' ' HB2' ' A' ' 412' ' ' LEU . 4.2 pp -58.63 -34.99 71.8 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.559 176.107 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -74.44 -33.74 63.02 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 120.454 -0.499 . . . . 0.0 111.108 179.47 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.625 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 41.5 tt0 -60.97 -54.49 44.29 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.104 0.478 . . . . 0.0 110.128 178.347 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.497 HG21 HD11 ' A' ' 408' ' ' LEU . 11.9 p -67.49 -33.03 59.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.703 179.397 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -62.95 -47.19 84.29 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.177 179.066 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 434' ' ' ARG . . . . . 0.625 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 4.9 ptm180 -66.33 -28.36 68.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.658 -175.234 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 435' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 431' ' ' GLU . 68.5 mt -70.32 -57.8 7.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.051 176.517 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 436' ' ' LEU . . . . . 0.618 ' HB2' HG13 ' A' ' 402' ' ' ILE . 4.5 pp -60.6 -31.14 70.32 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.098 -179.817 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 437' ' ' THR . . . . . 0.688 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 98.0 m -68.58 -56.48 8.14 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 176.82 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.2 -35.78 78.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.224 -176.427 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.732 HD23 HD13 ' A' ' 398' ' ' ILE . 42.9 tp -68.62 -54.35 16.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.018 -177.507 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 440' ' ' LYS . . . . . 0.688 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 56.9 pttt -61.3 -32.52 72.37 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.863 0.363 . . . . 0.0 110.75 -177.311 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 441' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 437' ' ' THR . 42.4 mmt180 -68.13 -61.61 1.78 Allowed 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.38 177.797 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 442' ' ' LYS . . . . . 1.058 ' HA ' ' HA ' ' A' ' 446' ' ' ALA . 0.4 OUTLIER -76.43 9.12 2.85 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -176.594 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.801 HD21 ' HB3' ' A' ' 393' ' ' GLU . 0.2 OUTLIER -96.97 -45.83 6.44 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 172.479 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 444' ' ' ARG . . . . . 0.482 ' HB2' ' OE1' ' A' ' 395' ' ' GLN . 36.4 ttt180 -90.95 -59.92 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.119 -177.937 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -93.9 -38.48 11.19 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.433 -174.534 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 446' ' ' ALA . . . . . 1.058 ' HA ' ' HA ' ' A' ' 442' ' ' LYS . . . . . . . . 0 C--O 1.248 0.978 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.723 -179.648 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.599 0 N-CA-C 111.573 -0.611 . . . . 0.0 111.573 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 392' ' ' SER . . . . . 0.416 ' HB3' ' HA ' ' A' ' 443' ' ' LEU . 11.1 t -101.19 -89.07 0.36 Allowed 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -173.511 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 393' ' ' GLU . . . . . 0.439 ' HG2' HG23 ' A' ' 394' ' ' THR . 42.5 tt0 -124.38 -96.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.172 -0.611 . . . . 0.0 112.557 -168.825 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.439 HG23 ' HG2' ' A' ' 393' ' ' GLU . 9.7 p -86.77 75.51 9.62 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -170.197 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 395' ' ' GLN . . . . . 0.615 ' O ' ' HD3' ' A' ' 399' ' ' LYS . 2.1 mm-40 -72.63 -41.19 65.77 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 173.914 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -61.32 -28.3 69.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.685 173.757 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.9 -58.26 13.69 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.063 -0.971 . . . . 0.0 112.256 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.777 HD13 HD23 ' A' ' 439' ' ' LEU . 10.7 tp -69.8 -21.29 24.1 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 C-N-CA 120.626 -0.429 . . . . 0.0 110.605 -176.534 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.615 ' HD3' ' O ' ' A' ' 395' ' ' GLN . 1.2 mptm? -67.82 -48.35 66.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.491 0.186 . . . . 0.0 111.013 178.457 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -62.39 -50.27 72.22 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 121.625 0.726 . . . . 0.0 109.912 176.237 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -58.77 -53.07 62.47 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 114.75 -1.113 . . . . 0.0 111.091 -178.996 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 402' ' ' ILE . . . . . 0.655 HG13 HD13 ' A' ' 436' ' ' LEU . 13.6 tt -60.26 -31.01 47.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -173.495 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.623 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 99.2 mtt180 -59.34 -55.36 35.77 Favored 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 120.46 -0.496 . . . . 0.0 109.895 174.003 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 404' ' ' ARG . . . . . 0.618 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 20.3 mtm180 -70.25 -38.09 75.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.075 -179.094 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 405' ' ' GLN . . . . . 0.442 ' HB2' ' HA ' ' A' ' 402' ' ' ILE . 23.8 mm-40 -64.09 -52.69 58.04 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.473 -177.741 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -71.45 -19.89 62.17 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.512 179.537 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.623 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.4 t80 -67.18 -55.73 12.88 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 174.898 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' A' ' 404' ' ' ARG . 2.7 pp -72.06 -27.86 62.96 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.079 178.777 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 409' ' ' LEU . . . . . 0.5 ' O ' ' HB2' ' A' ' 413' ' ' HIS . 7.1 tt -61.2 -49.85 75.5 Favored 'General case' 0 C--O 1.223 -0.294 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 175.402 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -61.52 -34.51 75.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.476 177.704 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 411' ' ' SER . . . . . 0.574 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 40.4 t -67.0 -57.56 6.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.818 178.171 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.82 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 4.5 pp -67.24 -19.82 65.58 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.817 -179.08 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 413' ' ' HIS . . . . . 0.5 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 15.0 t-160 -69.02 -40.59 78.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.475 175.396 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 414' ' ' ARG . . . . . 0.574 ' HG2' ' O ' ' A' ' 411' ' ' SER . 9.4 ptp85 -75.48 -14.42 60.43 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-O 121.167 0.508 . . . . 0.0 109.812 178.676 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -75.63 -3.7 35.94 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.647 176.716 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 94.6 mt -98.59 9.63 42.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.466 179.915 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -132.53 170.18 15.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.946 0.403 . . . . 0.0 111.39 -178.987 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 91.92 23.26 28.24 Favored Glycine 0 N--CA 1.448 -0.54 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.033 -179.868 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 90.9 12.38 60.52 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.417 -178.178 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 45.2 mm -94.14 115.06 32.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.791 0.329 . . . . 0.0 110.561 -178.651 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -99.19 69.59 1.72 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.949 0.404 . . . . 0.0 110.414 177.051 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -98.85 136.99 38.08 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.123 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.9 mp -103.25 -29.63 11.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.783 0.325 . . . . 0.0 110.543 -178.506 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 424' ' ' SER . . . . . 0.506 ' O ' ' HG2' ' A' ' 428' ' ' ARG . 67.5 p -64.52 -48.37 75.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.462 -174.396 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 425' ' ' LYS . . . . . 0.82 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 0.5 OUTLIER -60.92 -27.07 67.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.004 0.43 . . . . 0.0 111.479 -177.17 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 426' ' ' GLU . . . . . 0.61 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 33.4 tt0 -72.28 -49.23 36.4 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.315 0.579 . . . . 0.0 109.786 -179.057 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -63.47 -33.03 74.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.672 176.46 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 428' ' ' ARG . . . . . 0.523 ' O ' HG23 ' A' ' 432' ' ' VAL . 25.8 mmt180 -74.54 -39.1 62.53 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.304 -175.81 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 3.6 pp -62.62 -37.84 87.87 Favored 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 120.182 -0.607 . . . . 0.0 109.593 177.362 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -73.12 -34.17 65.97 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 120.536 -0.466 . . . . 0.0 109.758 179.478 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -61.03 -47.76 84.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.844 175.162 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.527 ' O ' ' HG ' ' A' ' 436' ' ' LEU . 89.9 t -60.44 -48.66 87.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.414 176.03 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -62.41 -43.38 98.96 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.165 -176.538 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 434' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -68.5 -34.39 75.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.75 -176.17 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 435' ' ' ILE . . . . . . . . . . . . . 70.9 mt -71.22 -46.62 64.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 178.186 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 436' ' ' LEU . . . . . 0.655 HD13 HG13 ' A' ' 402' ' ' ILE . 98.1 mt -54.33 -55.73 25.5 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.276 175.821 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 29.8 m -58.38 -55.57 33.34 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.514 -177.799 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -56.29 -47.68 78.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.63 0.252 . . . . 0.0 111.247 -176.256 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.777 HD23 HD13 ' A' ' 398' ' ' ILE . 36.0 tp -64.99 -56.87 10.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.343 -176.828 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 440' ' ' LYS . . . . . 0.567 ' HB3' HG12 ' A' ' 398' ' ' ILE . 21.6 ptmt -60.61 -34.05 73.65 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.967 0.413 . . . . 0.0 111.639 -174.341 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 441' ' ' ARG . . . . . 0.689 ' HD2' ' OE2' ' A' ' 445' ' ' GLU . 15.2 mmt180 -71.64 -45.96 60.46 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.398 -177.173 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -66.85 -21.48 66.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 0.0 111.294 176.144 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 94.0 mt -89.94 -16.1 30.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.651 -179.173 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -107.84 -46.36 3.81 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.886 178.269 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 445' ' ' GLU . . . . . 0.689 ' OE2' ' HD2' ' A' ' 441' ' ' ARG . 42.9 mt-10 -78.89 -2.52 40.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.922 0.391 . . . . 0.0 111.202 -174.384 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.001 -0.999 . . . . 0.0 109.4 174.719 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.469 0 N-CA-C 111.84 -0.504 . . . . 0.0 111.84 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 392' ' ' SER . . . . . 0.95 ' HB2' HD22 ' A' ' 443' ' ' LEU . 50.5 m -152.8 155.37 37.01 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 177.908 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -91.11 9.02 32.7 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.279 -173.593 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 18.8 p -79.95 64.61 4.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.236 0.541 . . . . 0.0 111.062 178.448 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -70.02 -35.08 74.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.777 177.471 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -62.53 -22.35 66.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.206 172.041 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.03 -63.53 4.85 Favored Glycine 0 N--CA 1.443 -0.887 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.289 178.065 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.479 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -71.82 -32.75 45.84 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.598 0 CA-C-N 115.688 -0.256 . . . . 0.0 110.62 -179.135 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.15 -43.36 99.0 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.874 -178.219 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 400' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 404' ' ' ARG . 37.4 tt0 -72.49 -44.7 61.91 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.341 177.122 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -61.62 -46.31 90.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.727 -179.183 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 402' ' ' ILE . . . . . . . . . . . . . 14.4 tt -65.16 -33.99 67.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 C-N-CA 122.056 0.143 . . . . 0.0 110.783 -177.16 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.597 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 61.9 mtp180 -60.87 -46.72 89.5 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 120.657 -0.417 . . . . 0.0 109.891 175.908 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 404' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 400' ' ' GLU . 55.1 mtt180 -71.61 -41.13 69.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.39 -179.711 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 405' ' ' GLN . . . . . 0.439 ' HB3' ' HB ' ' A' ' 432' ' ' VAL . 74.3 mt-30 -69.42 -45.2 69.73 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.71 -176.904 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 406' ' ' GLU . . . . . 0.542 ' HA ' ' HB3' ' A' ' 409' ' ' LEU . 53.2 mt-10 -73.0 -20.98 60.91 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.504 -0.479 . . . . 0.0 110.533 178.175 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.597 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.5 t80 -66.74 -53.11 36.79 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 174.858 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.78 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.6 pp -71.45 -30.06 65.59 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.681 176.888 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 409' ' ' LEU . . . . . 0.621 ' HA ' HD12 ' A' ' 412' ' ' LEU . 3.2 tm? -56.91 -45.16 82.83 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 174.921 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -59.6 -42.94 93.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.077 175.294 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 22.7 t -60.92 -54.88 39.63 Favored 'General case' 0 C--O 1.218 -0.569 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.806 178.952 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.78 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 10.6 mt -51.63 -40.44 59.93 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 121.478 0.656 . . . . 0.0 110.512 -178.948 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -64.3 -29.97 71.04 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.698 178.653 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -86.48 -28.04 23.69 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.961 0.41 . . . . 0.0 110.434 175.093 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 415' ' ' ASP . . . . . 0.408 ' HB2' ' HA ' ' A' ' 412' ' ' LEU . 1.8 m-20 -69.03 -13.86 62.7 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.251 177.796 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.521 HD21 ' HB2' ' A' ' 425' ' ' LYS . 95.6 mt -97.66 5.55 49.2 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.718 -179.24 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -128.25 173.09 10.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.03 0.443 . . . . 0.0 111.14 -179.349 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 89.23 17.47 55.55 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.607 -177.035 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 91.72 32.78 8.32 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.876 -0.678 . . . . 0.0 111.632 -177.699 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 40.1 mm -119.6 130.81 73.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.748 0.309 . . . . 0.0 110.762 -176.139 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -121.74 87.27 2.72 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 175.249 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 422' ' ' ASP . . . . . 0.601 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 14.5 t70 -111.25 138.38 47.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.388 -175.643 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.9 mp -94.68 -27.72 15.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.846 0.355 . . . . 0.0 110.95 -175.135 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 424' ' ' SER . . . . . 0.439 ' O ' ' HG2' ' A' ' 428' ' ' ARG . 22.7 t -68.17 -47.63 67.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.913 -179.122 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 425' ' ' LYS . . . . . 0.601 ' HG2' ' OD1' ' A' ' 422' ' ' ASP . 48.0 mmtt -56.82 -34.97 68.26 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.333 0.587 . . . . 0.0 110.253 -179.784 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 426' ' ' GLU . . . . . 0.7 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 7.2 tp10 -70.48 -51.33 29.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.096 -175.92 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -65.06 -29.61 70.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.414 178.598 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 428' ' ' ARG . . . . . 0.439 ' HG2' ' O ' ' A' ' 424' ' ' SER . 18.3 mmt180 -76.67 -41.26 46.27 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.517 -177.816 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.7 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.3 pp -61.24 -34.62 75.44 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.695 177.399 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -80.82 -25.3 37.87 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.609 178.446 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.48 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 9.4 tp10 -62.03 -57.31 12.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.089 177.904 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.707 HG11 HD11 ' A' ' 408' ' ' LEU . 31.9 m -69.95 -32.85 53.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 C-N-CA 121.12 -0.232 . . . . 0.0 111.077 -178.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -61.37 -43.43 98.88 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.93 0.395 . . . . 0.0 110.43 -179.195 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 434' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 29.1 ptt180 -72.21 -31.6 66.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.532 -179.731 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 435' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 431' ' ' GLU . 83.0 mt -70.79 -56.96 8.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.733 -0.212 . . . . 0.0 111.354 179.137 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 436' ' ' LEU . . . . . . . . . . . . . 4.5 pp -59.01 -32.7 69.95 Favored 'General case' 0 N--CA 1.461 0.082 0 C-N-CA 121.248 -0.181 . . . . 0.0 110.907 -177.034 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 437' ' ' THR . . . . . 0.778 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 41.6 m -74.75 -52.06 12.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.259 179.488 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 438' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 442' ' ' LYS . . . -61.42 -38.43 87.1 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.779 0.323 . . . . 0.0 110.561 -178.406 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.687 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 29.9 tp -62.94 -61.17 2.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.047 -179.496 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 440' ' ' LYS . . . . . 0.778 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 58.1 pttt -59.62 -34.67 73.07 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.089 0.471 . . . . 0.0 111.725 -175.202 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -76.34 -39.86 52.83 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.524 -177.56 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 442' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 438' ' ' ALA . 13.1 mptt -79.39 -11.74 59.92 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.314 179.424 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.95 HD22 ' HB2' ' A' ' 392' ' ' SER . 71.3 mt -90.97 -46.47 8.14 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.059 177.325 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 21.3 tpp180 -96.61 -51.4 4.33 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -174.414 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -78.05 -29.45 49.27 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -173.264 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.98 -178.521 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.412 0 N-CA-C 111.633 -0.587 . . . . 0.0 111.633 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 9.5 t 58.43 35.17 24.56 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 121.431 0.634 . . . . 0.0 110.011 179.942 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 393' ' ' GLU . . . . . 0.553 ' H ' ' CD ' ' A' ' 393' ' ' GLU . 0.6 OUTLIER -87.41 56.74 4.08 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.335 -175.063 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.439 ' O ' HD13 ' A' ' 443' ' ' LEU . 2.0 m -73.07 100.09 2.93 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.803 177.653 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 395' ' ' GLN . . . . . 0.516 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 22.9 tp60 -59.45 -39.91 85.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.031 0.443 . . . . 0.0 109.957 178.429 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -66.36 -17.96 65.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.85 177.91 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -58.03 -56.6 24.29 Favored Glycine 0 N--CA 1.451 -0.363 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 -179.582 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.59 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -71.3 -36.07 60.2 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.861 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 177.854 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.516 ' HG2' ' O ' ' A' ' 395' ' ' GLN . 24.8 mmtp -60.06 -46.6 89.02 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.853 -175.33 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -69.89 -44.45 69.72 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 120.857 0.361 . . . . 0.0 110.766 179.438 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -67.34 -38.67 85.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.911 -179.466 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 402' ' ' ILE . . . . . 0.59 HD12 HD11 ' A' ' 398' ' ' ILE . 14.8 tt -67.32 -33.49 63.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 -177.637 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.579 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 72.6 mtp180 -60.83 -43.33 98.39 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 175.024 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 404' ' ' ARG . . . . . 0.497 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 91.7 mtt180 -67.55 -50.17 59.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.587 176.179 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 405' ' ' GLN . . . . . 0.558 ' O ' ' HB2' ' A' ' 409' ' ' LEU . 76.3 mt-30 -63.03 -43.82 97.66 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.358 -175.639 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 406' ' ' GLU . . . . . 0.429 ' HG3' HG12 ' A' ' 402' ' ' ILE . 49.8 mt-10 -73.01 -27.49 61.81 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.875 178.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.579 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.5 t80 -66.29 -51.82 53.57 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 177.815 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.669 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.2 pp -71.61 -30.24 65.57 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.453 176.947 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 409' ' ' LEU . . . . . 0.558 ' HB2' ' O ' ' A' ' 405' ' ' GLN . 6.0 tt -57.21 -54.27 48.65 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 108.706 -0.849 . . . . 0.0 108.706 175.019 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -52.05 -43.12 63.62 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.484 0.49 . . . . 0.0 110.859 177.864 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 19.3 m -62.85 -57.34 11.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.197 -178.338 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.669 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 3.7 pp -74.94 -16.11 60.66 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 121.068 0.461 . . . . 0.0 111.181 -178.095 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 413' ' ' HIS . . . . . 0.471 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 2.4 t60 -72.42 -37.91 68.51 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 174.448 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -87.98 -5.79 58.34 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.023 179.44 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 415' ' ' ASP . . . . . 0.557 ' HB2' ' HA ' ' A' ' 412' ' ' LEU . 4.8 t70 -65.55 -25.41 67.42 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.646 0.736 . . . . 0.0 109.968 174.435 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 34.5 mt -69.88 -33.83 72.76 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.186 178.3 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 417' ' ' GLN . . . . . 0.627 ' HB2' HG12 ' A' ' 420' ' ' ILE . 17.3 mm-40 63.22 -70.5 0.06 Allowed 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 176.112 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 147.91 60.37 0.01 OUTLIER Glycine 0 N--CA 1.442 -0.937 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 -174.018 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 142.6 -15.79 2.45 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 111.521 -0.632 . . . . 0.0 111.521 -173.726 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 420' ' ' ILE . . . . . 0.627 HG12 ' HB2' ' A' ' 417' ' ' GLN . 42.8 mm -75.78 120.56 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 178.244 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -82.94 75.18 9.85 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.981 0.42 . . . . 0.0 110.801 -179.637 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 422' ' ' ASP . . . . . 0.518 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 9.9 t0 -127.26 112.81 15.51 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.744 175.926 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.5 mp -95.76 -22.57 17.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.117 -176.72 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 24.8 m -66.93 -35.67 80.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.382 -178.646 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 425' ' ' LYS . . . . . 0.555 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 0.2 OUTLIER -69.52 -28.83 66.37 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.648 177.09 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 426' ' ' GLU . . . . . 0.671 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 44.2 mt-10 -70.32 -52.43 22.76 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.254 0.549 . . . . 0.0 110.119 179.464 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -66.95 -20.3 65.87 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.513 -179.614 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 -82.37 -42.91 18.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.597 -179.306 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.671 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.3 pp -61.96 -36.11 80.46 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.967 0.413 . . . . 0.0 110.087 179.035 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 4.1 t90 -77.55 -31.24 53.16 Favored 'General case' 0 N--CA 1.438 -1.046 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.139 179.425 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.546 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 33.3 tt0 -64.77 -49.98 68.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.733 -179.605 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.428 HG23 HD12 ' A' ' 409' ' ' LEU . 16.1 m -69.89 -28.46 36.8 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.578 178.801 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -70.59 -48.03 57.28 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.755 0.312 . . . . 0.0 110.408 179.508 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 434' ' ' ARG . . . . . 0.546 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 35.1 ptt180 -61.77 -31.58 71.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.111 -178.445 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 435' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 431' ' ' GLU . 79.1 mt -72.91 -53.28 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.991 177.366 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 436' ' ' LEU . . . . . 0.436 HD12 ' N ' ' A' ' 437' ' ' THR . 4.6 pp -61.48 -32.49 72.51 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.823 0.344 . . . . 0.0 110.819 -177.615 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 437' ' ' THR . . . . . 0.504 ' O ' ' HG2' ' A' ' 441' ' ' ARG . 58.4 m -68.63 -57.71 5.33 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.872 178.389 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -63.84 -36.42 83.86 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.729 0.3 . . . . 0.0 111.239 -176.224 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.459 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 43.2 tp -60.71 -54.75 41.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.959 -178.734 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 440' ' ' LYS . . . . . 0.491 ' HB3' HG13 ' A' ' 398' ' ' ILE . 18.1 pttp -64.37 -27.5 69.05 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.869 0.366 . . . . 0.0 111.056 -177.098 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 441' ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' A' ' 437' ' ' THR . 28.4 mmm180 -65.91 -51.55 57.65 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.486 177.436 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -72.41 -10.97 60.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.667 0.27 . . . . 0.0 111.654 -179.398 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 74.8 mt -93.15 -51.17 5.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.684 178.797 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 30.9 ttt180 -89.4 -37.93 14.48 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.399 -0.52 . . . . 0.0 112.085 -175.623 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -83.12 19.43 1.44 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.89 0.376 . . . . 0.0 111.368 -171.858 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.323 178.274 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.78 0 N-CA-C 112.597 -0.201 . . . . 0.0 112.597 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 46.9 m -108.11 81.24 1.46 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 177.166 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -57.9 -58.82 6.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.005 179.123 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -146.61 98.36 3.05 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 121.084 0.468 . . . . 0.0 110.934 176.307 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 395' ' ' GLN . . . . . 0.63 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 19.6 mm-40 -69.61 -35.18 75.06 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 174.389 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -64.5 -22.1 66.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.166 174.277 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.37 -59.24 10.25 Favored Glycine 0 N--CA 1.445 -0.748 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.652 -179.715 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.522 ' HB ' HD23 ' A' ' 439' ' ' LEU . 0.0 OUTLIER -67.06 -34.58 70.69 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.745 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 -177.588 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.63 ' HG2' ' O ' ' A' ' 395' ' ' GLN . 33.9 mmtp -58.31 -53.32 59.61 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.308 -178.839 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 400' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 403' ' ' ARG . 28.6 tt0 -68.77 -44.76 73.03 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-O 121.502 0.668 . . . . 0.0 110.25 -179.045 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 401' ' ' GLU . . . . . 0.64 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 41.9 mt-10 -62.36 -45.77 91.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.215 179.499 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 402' ' ' ILE . . . . . 0.521 HD12 HD11 ' A' ' 398' ' ' ILE . 13.3 tt -65.4 -35.06 74.42 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.451 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -172.981 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.611 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 17.4 ptm180 -64.02 -39.24 93.65 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 119.231 -0.988 . . . . 0.0 109.777 176.83 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 -70.62 -38.9 73.99 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.239 174.545 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 405' ' ' GLN . . . . . 0.64 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 46.0 mt-30 -66.21 -54.59 23.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.448 179.701 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 406' ' ' GLU . . . . . 0.401 ' HG2' HG12 ' A' ' 402' ' ' ILE . 5.8 mm-40 -61.29 -28.45 69.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.776 0.322 . . . . 0.0 110.137 179.307 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.611 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 4.8 t80 -63.08 -53.49 52.87 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.098 178.493 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.557 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.0 pp -73.22 -31.46 64.17 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 178.868 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 409' ' ' LEU . . . . . 0.49 ' N ' HD12 ' A' ' 408' ' ' LEU . 5.6 tt -60.23 -48.59 81.09 Favored 'General case' 0 C--O 1.223 -0.342 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 177.427 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -55.43 -45.3 76.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.891 174.427 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 411' ' ' SER . . . . . 0.424 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 40.5 m -63.21 -52.92 60.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.309 -177.38 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.755 ' HB2' ' HB3' ' A' ' 425' ' ' LYS . 4.1 pp -71.47 -23.32 61.8 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.129 -179.845 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 413' ' ' HIS . . . . . 0.447 ' N ' HD12 ' A' ' 412' ' ' LEU . 11.8 t-160 -65.75 -40.69 92.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.769 0.318 . . . . 0.0 110.748 176.993 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 414' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 411' ' ' SER . 15.1 ptm180 -82.44 -16.66 48.09 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.083 -179.918 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -67.69 -21.25 65.33 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.12 175.302 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.529 HD21 ' HB2' ' A' ' 425' ' ' LYS . 45.8 mt -82.47 -9.24 59.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.834 177.056 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -121.7 172.6 8.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 -171.392 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 86.38 24.81 38.44 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.689 -0.767 . . . . 0.0 111.559 -179.389 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 82.94 45.59 6.62 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 121.077 -0.582 . . . . 0.0 112.358 -179.447 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 50.6 mm -121.74 131.39 73.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.523 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -97.77 76.32 2.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.594 0.711 . . . . 0.0 110.506 178.107 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 422' ' ' ASP . . . . . 0.467 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 11.8 t70 -126.13 136.93 53.48 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.845 178.44 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.3 mp -119.4 -7.71 10.16 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.527 0.68 . . . . 0.0 109.94 177.416 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 4.7 t -73.23 -40.77 64.42 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.862 -174.453 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 425' ' ' LYS . . . . . 0.755 ' HB3' ' HB2' ' A' ' 412' ' ' LEU . 21.0 mmtm -69.6 -23.44 63.52 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -179.541 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 426' ' ' GLU . . . . . 0.62 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 30.3 tt0 -72.53 -42.14 65.07 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 -178.57 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -64.05 -28.52 69.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.833 173.37 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 35.0 mmt180 -76.23 -43.98 39.65 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.336 -179.873 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.62 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.3 pp -62.48 -33.02 74.03 Favored 'General case' 0 CA--C 1.513 -0.451 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.608 -179.261 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 430' ' ' TRP . . . . . 0.404 ' N ' HD12 ' A' ' 429' ' ' LEU . 3.9 t90 -76.43 -34.13 58.77 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 120.037 -0.665 . . . . 0.0 110.262 179.149 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.655 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 43.6 tt0 -62.79 -53.73 49.76 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.224 178.498 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.401 HG13 HD12 ' A' ' 409' ' ' LEU . 9.0 p -66.48 -34.24 68.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.84 179.668 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -62.85 -48.92 76.97 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 120.925 0.393 . . . . 0.0 110.306 178.681 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 434' ' ' ARG . . . . . 0.655 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 11.5 ptm180 -64.21 -29.52 70.62 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.592 -175.037 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 435' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 431' ' ' GLU . 73.8 mt -71.15 -56.99 8.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.161 177.757 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 436' ' ' LEU . . . . . 0.465 HD12 ' N ' ' A' ' 437' ' ' THR . 4.3 pp -60.99 -35.79 77.76 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 120.638 0.256 . . . . 0.0 111.12 -177.937 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 437' ' ' THR . . . . . 0.465 ' N ' HD12 ' A' ' 436' ' ' LEU . 56.5 m -69.41 -52.57 25.61 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.159 178.951 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -65.05 -32.09 73.63 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 120.762 0.315 . . . . 0.0 110.773 -176.373 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.522 HD23 ' HB ' ' A' ' 398' ' ' ILE . 33.3 tp -65.69 -60.66 2.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.806 -177.226 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 440' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -62.35 -36.77 83.27 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.673 -175.734 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -70.25 -42.14 72.56 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.139 -177.7 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -69.5 -38.15 77.51 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 121.029 -0.268 . . . . 0.0 110.931 177.707 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 56.6 mt -76.15 -18.34 59.16 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -177.03 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -111.0 -44.55 3.58 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.401 -0.52 . . . . 0.0 112.245 -176.024 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -83.63 6.12 21.92 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -173.527 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.359 -0.829 . . . . 0.0 110.614 178.587 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 391' ' ' GLY . . . . . 0.523 ' O ' ' HA ' ' A' ' 444' ' ' ARG . . . . . . . . 0 N--CA 1.478 1.447 0 N-CA-C 111.858 -0.497 . . . . 0.0 111.858 . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 392' ' ' SER . . . . . 0.688 ' HB3' ' HG2' ' A' ' 395' ' ' GLN . 48.8 m -137.71 -51.26 0.62 Allowed 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.556 -0.165 . . . . 0.0 110.556 179.054 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 393' ' ' GLU . . . . . 0.47 ' HB3' HD22 ' A' ' 443' ' ' LEU . 17.0 tt0 57.62 -89.83 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 O-C-N 123.882 0.739 . . . . 0.0 111.111 -177.602 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 17.5 p -122.15 66.43 0.92 Allowed 'General case' 0 N--CA 1.442 -0.863 0 CA-C-O 121.061 0.457 . . . . 0.0 110.833 -177.574 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 395' ' ' GLN . . . . . 0.688 ' HG2' ' HB3' ' A' ' 392' ' ' SER . 28.3 mm-40 -62.24 -44.25 96.99 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 177.847 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -62.24 -23.39 66.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.169 175.299 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 397' ' ' GLY . . . . . 0.484 ' O ' ' HB2' ' A' ' 401' ' ' GLU . . . -61.1 -58.4 13.76 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.663 176.691 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.941 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -71.07 -33.63 52.15 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.379 0 O-C-N 123.452 0.148 . . . . 0.0 110.664 -179.278 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.661 ' HG2' ' O ' ' A' ' 395' ' ' GLN . 34.1 mmtp -59.96 -59.55 5.25 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.576 -179.255 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -63.77 -43.31 96.76 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.059 0.457 . . . . 0.0 110.213 -178.289 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 401' ' ' GLU . . . . . 0.484 ' HB2' ' O ' ' A' ' 397' ' ' GLY . 10.4 tt0 -54.94 -54.66 39.91 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.362 175.65 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 402' ' ' ILE . . . . . 0.941 HD12 HD11 ' A' ' 398' ' ' ILE . 0.3 OUTLIER -58.19 -29.9 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 O-C-N 123.385 0.428 . . . . 0.0 111.4 -177.117 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.657 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 81.0 mtp180 -57.0 -52.97 63.13 Favored 'General case' 0 CA--C 1.521 -0.168 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 174.794 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 404' ' ' ARG . . . . . 0.42 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 20.8 mmm180 -75.92 -39.29 56.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.093 -179.671 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 405' ' ' GLN . . . . . 0.556 ' HB2' ' HA ' ' A' ' 402' ' ' ILE . 15.9 mm-40 -61.96 -47.9 82.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.135 -179.36 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 406' ' ' GLU . . . . . 0.649 ' HA ' ' HB3' ' A' ' 409' ' ' LEU . 33.9 mt-10 -76.87 -18.78 58.13 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.507 178.236 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.657 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 4.6 t80 -67.19 -51.8 49.14 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 175.199 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.689 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.2 pp -70.79 -32.13 69.13 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.317 176.33 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 409' ' ' LEU . . . . . 0.649 ' HB3' ' HA ' ' A' ' 406' ' ' GLU . 52.3 tp -59.15 -45.07 91.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.145 0.498 . . . . 0.0 109.673 174.544 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -60.27 -44.61 95.18 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.388 -0.823 . . . . 0.0 109.922 176.157 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 411' ' ' SER . . . . . 0.424 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 24.7 m -62.24 -57.39 11.63 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.249 -179.666 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.689 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 3.3 pp -67.8 -16.56 64.17 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -176.919 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 413' ' ' HIS . . . . . 0.41 ' N ' HD12 ' A' ' 412' ' ' LEU . 5.3 m170 -70.02 -40.95 74.9 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 120.735 0.302 . . . . 0.0 110.803 173.37 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 414' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 411' ' ' SER . 28.6 ptt180 -80.43 -13.77 58.85 Favored 'General case' 0 C--N 1.328 -0.37 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.401 178.185 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 415' ' ' ASP . . . . . 0.459 ' OD2' ' HA ' ' A' ' 412' ' ' LEU . 17.1 m-20 -69.56 -17.25 63.54 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.923 0.392 . . . . 0.0 110.148 172.434 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.479 HD21 ' HB2' ' A' ' 425' ' ' LYS . 44.4 mt -95.99 -1.75 48.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.248 176.959 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -112.89 150.92 31.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.096 -175.407 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 99.65 18.03 24.34 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.485 -0.646 . . . . 0.0 111.485 -178.502 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 83.05 31.21 29.32 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.063 -179.035 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 32.9 mm -102.93 137.31 31.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.791 0.329 . . . . 0.0 110.453 -178.594 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -113.88 109.06 17.91 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.228 0.537 . . . . 0.0 109.898 176.312 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 422' ' ' ASP . . . . . 0.574 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 9.9 t70 -143.48 113.07 6.97 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.066 -177.977 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 91.1 mt -82.76 -14.48 54.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.199 -177.533 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 35.2 t -71.71 -53.32 13.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.944 -178.142 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 425' ' ' LYS . . . . . 0.574 ' HD3' ' OD1' ' A' ' 422' ' ' ASP . 12.1 mptt -62.53 -29.58 70.67 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.985 -179.217 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 426' ' ' GLU . . . . . 0.693 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 34.7 tt0 -68.58 -57.81 5.2 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.687 -176.33 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -62.97 -29.21 70.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.992 0.425 . . . . 0.0 110.423 177.421 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 428' ' ' ARG . . . . . 0.482 ' O ' HG12 ' A' ' 432' ' ' VAL . 17.9 ttt180 -73.31 -39.38 65.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.853 -178.306 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.693 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 3.6 pp -64.11 -32.94 74.69 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.293 -179.939 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -77.07 -32.89 57.11 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.375 177.17 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 36.1 tt0 -60.37 -57.41 12.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.353 176.729 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.482 HG12 ' O ' ' A' ' 428' ' ' ARG . 4.9 p -61.52 -38.44 80.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 179.5 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -63.37 -47.36 82.39 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.332 -177.978 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 434' ' ' ARG . . . . . 0.5 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 2.4 ptm180 -69.42 -28.3 66.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.492 -175.587 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 435' ' ' ILE . . . . . . . . . . . . . 72.3 mt -74.43 -53.06 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.217 178.934 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 436' ' ' LEU . . . . . 0.684 ' HB2' HG13 ' A' ' 402' ' ' ILE . 4.4 pp -61.49 -33.17 73.32 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.672 0.272 . . . . 0.0 110.788 -179.822 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 437' ' ' THR . . . . . 0.497 ' N ' HD12 ' A' ' 436' ' ' LEU . 46.8 m -72.1 -55.97 6.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.817 177.876 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.02 -31.14 70.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.668 0.271 . . . . 0.0 111.052 -177.835 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.685 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 45.6 tp -63.57 -61.42 2.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.392 179.148 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 440' ' ' LYS . . . . . 0.489 ' HB3' HG13 ' A' ' 398' ' ' ILE . 56.3 pttt -62.61 -28.72 70.09 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.684 0.278 . . . . 0.0 111.522 -178.141 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -68.55 -56.5 8.11 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.167 176.956 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -56.18 -43.74 78.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.357 -179.747 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.685 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 85.7 mt -59.53 -44.01 93.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.53 -179.382 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 444' ' ' ARG . . . . . 0.523 ' HA ' ' O ' ' A' ' 391' ' ' GLY . 98.3 mtt180 -83.7 -40.92 18.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.67 -175.233 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -74.54 -22.97 58.75 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.621 0.23 . . . . 0.0 111.621 -175.616 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.91 0 CA-C-O 118.609 -0.71 . . . . 0.0 110.046 175.498 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.803 0 N-CA-C 112.057 -0.417 . . . . 0.0 112.057 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 3.2 m -95.75 -52.26 4.16 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 177.919 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 62.9 9.82 3.95 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.756 175.693 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.402 ' N ' HD21 ' A' ' 443' ' ' LEU . 2.7 p -85.86 76.96 9.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.773 0.321 . . . . 0.0 111.12 177.369 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 395' ' ' GLN . . . . . 0.555 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 0.1 OUTLIER -69.43 -29.27 66.95 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 -178.893 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -67.86 -18.64 64.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.17 0.51 . . . . 0.0 109.797 173.499 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.44 -58.62 11.62 Favored Glycine 0 N--CA 1.443 -0.9 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.41 177.175 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.485 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -66.38 -32.14 56.76 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.846 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.689 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' A' ' 395' ' ' GLN . 33.0 mmtp -58.63 -49.93 75.69 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.863 0.363 . . . . 0.0 111.02 179.717 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -66.2 -49.05 68.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.181 0.515 . . . . 0.0 110.355 178.784 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -64.67 -39.9 94.48 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.299 -176.916 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 402' ' ' ILE . . . . . 0.682 HG13 HD22 ' A' ' 436' ' ' LEU . 12.3 tt -66.83 -30.09 48.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 117.544 0.157 . . . . 0.0 110.811 -177.584 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.653 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 89.6 mtt180 -64.18 -46.95 81.7 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 177.142 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -68.77 -42.82 76.94 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.587 -1.188 . . . . 0.0 111.327 178.164 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 405' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -67.82 -46.05 72.94 Favored 'General case' 0 C--O 1.221 -0.398 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -177.436 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 406' ' ' GLU . . . . . 0.444 ' HA ' ' HB3' ' A' ' 409' ' ' LEU . 40.5 mt-10 -71.59 -20.55 61.98 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.211 177.236 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.653 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 9.1 t80 -67.83 -54.21 20.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.678 175.949 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.682 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.3 pp -70.61 -30.63 67.35 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.364 177.563 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 409' ' ' LEU . . . . . 0.546 ' HG ' ' HB2' ' A' ' 429' ' ' LEU . 8.3 tt -57.71 -48.96 78.11 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 174.441 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -58.82 -42.27 88.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.03 176.222 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 31.2 m -62.28 -57.22 12.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.994 -179.662 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.682 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 3.9 pp -71.73 -15.73 62.2 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 111.035 -178.245 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -74.46 -37.14 63.3 Favored 'General case' 0 CA--C 1.516 -0.329 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 172.866 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 31.3 mtm180 -68.34 -22.54 64.68 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.494 177.163 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 415' ' ' ASP . . . . . 0.595 ' OD2' ' HA ' ' A' ' 412' ' ' LEU . 9.4 m-20 -64.5 -19.05 65.35 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.669 173.334 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.625 HD21 ' HB2' ' A' ' 425' ' ' LYS . 58.1 mt -92.46 -18.77 22.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.184 0.516 . . . . 0.0 110.921 -177.836 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -92.19 130.93 37.79 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.13 -171.306 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 116.89 33.69 1.35 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.414 -0.898 . . . . 0.0 112.59 179.581 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 71.3 28.94 69.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.9 -0.666 . . . . 0.0 112.49 -179.772 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 36.9 mm -92.17 126.64 44.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.648 0.261 . . . . 0.0 110.717 -178.073 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -93.96 86.44 5.04 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.19 0.519 . . . . 0.0 109.601 174.391 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -137.92 132.11 31.93 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.644 177.447 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 423' ' ' LEU . . . . . 0.406 ' O ' ' HG2' ' A' ' 427' ' ' GLU . 68.8 mt -111.35 -18.84 12.82 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.213 179.327 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 424' ' ' SER . . . . . 0.513 ' O ' ' HG3' ' A' ' 428' ' ' ARG . 79.5 p -63.57 -45.12 91.91 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.011 -177.355 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 425' ' ' LYS . . . . . 0.625 ' HB2' HD21 ' A' ' 416' ' ' LEU . 35.3 mmtp -67.09 -30.18 70.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.125 0.488 . . . . 0.0 110.523 178.825 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 426' ' ' GLU . . . . . 0.622 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 37.1 tt0 -73.62 -40.66 63.64 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.038 -177.099 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 423' ' ' LEU . 5.8 mm-40 -65.26 -27.15 68.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.285 0.564 . . . . 0.0 109.564 174.624 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 428' ' ' ARG . . . . . 0.513 ' HG3' ' O ' ' A' ' 424' ' ' SER . 93.1 mtt180 -73.33 -45.43 55.31 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.203 -179.763 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.673 ' HB3' ' CD1' ' A' ' 412' ' ' LEU . 4.0 pp -64.52 -36.13 83.2 Favored 'General case' 0 CA--C 1.51 -0.583 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.098 -178.93 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -76.12 -27.7 57.18 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.066 179.288 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.52 ' O ' HG13 ' A' ' 435' ' ' ILE . 10.0 tp10 -64.98 -58.13 6.91 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.944 177.828 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 17.3 m -64.13 -30.69 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.723 179.701 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -66.22 -49.27 67.8 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 178.888 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 434' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -71.08 -22.06 62.15 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.057 -177.671 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 435' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 431' ' ' GLU . 79.7 mt -71.07 -57.99 6.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.215 173.361 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 436' ' ' LEU . . . . . 0.682 HD22 HG13 ' A' ' 402' ' ' ILE . 4.5 pp -60.73 -30.02 69.72 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.704 0.288 . . . . 0.0 110.698 -179.742 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 437' ' ' THR . . . . . 0.628 ' O ' ' HG2' ' A' ' 441' ' ' ARG . 90.7 m -69.01 -59.65 2.9 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.686 176.542 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.35 -38.03 82.53 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 120.852 0.358 . . . . 0.0 110.951 -177.444 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 44.8 tp -59.66 -58.52 8.23 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.088 -179.224 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 440' ' ' LYS . . . . . 0.485 ' HB3' HG13 ' A' ' 398' ' ' ILE . 16.2 pttp -62.45 -29.46 70.54 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.722 0.296 . . . . 0.0 111.635 -174.402 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 441' ' ' ARG . . . . . 0.628 ' HG2' ' O ' ' A' ' 437' ' ' THR . 9.8 mmm180 -76.11 -51.47 12.15 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.401 178.679 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 442' ' ' LYS . . . . . 0.524 ' O ' ' HA ' ' A' ' 446' ' ' ALA . 4.7 mptp? -74.25 -7.56 53.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.999 0.428 . . . . 0.0 111.528 -178.541 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.491 HD22 HE21 ' A' ' 395' ' ' GLN . 8.6 tt -94.43 -36.02 12.08 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.187 177.985 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -88.8 -52.3 5.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.093 0.473 . . . . 0.0 110.549 179.696 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -88.14 -32.48 18.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.25 -177.223 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 446' ' ' ALA . . . . . 0.524 ' HA ' ' O ' ' A' ' 442' ' ' LYS . . . . . . . . 0 C--O 1.245 0.827 0 O-C-N 124.396 1.06 . . . . 0.0 110.716 -176.075 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.474 0 N-CA-C 111.638 -0.585 . . . . 0.0 111.638 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 12.9 p -146.12 162.79 37.17 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.58 0.228 . . . . 0.0 111.063 -177.62 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -83.78 60.18 5.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.15 0.5 . . . . 0.0 110.113 179.949 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 3.3 p -88.07 73.51 9.03 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.437 0.637 . . . . 0.0 111.674 -174.856 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 395' ' ' GLN . . . . . 0.498 ' OE1' ' HB2' ' A' ' 444' ' ' ARG . 49.0 tp60 -70.56 -31.96 69.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.547 177.804 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -70.0 -11.61 61.01 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.997 173.228 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.67 -61.14 6.49 Favored Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.264 176.162 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.475 ' HB ' HD23 ' A' ' 439' ' ' LEU . 0.0 OUTLIER -66.21 -30.02 48.57 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.669 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.234 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.832 ' HA ' ' HE3' ' A' ' 399' ' ' LYS . 0.2 OUTLIER -55.26 -57.08 13.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.135 0.493 . . . . 0.0 110.757 176.731 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 400' ' ' GLU . . . . . 0.669 ' HG3' HH21 ' A' ' 403' ' ' ARG . 33.5 tt0 -72.09 -42.28 66.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.092 -179.287 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -65.53 -31.59 72.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.505 -179.172 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 402' ' ' ILE . . . . . 0.617 HG22 ' O ' ' A' ' 399' ' ' LYS . 11.1 tt -70.08 -34.33 58.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.424 -0.511 . . . . 0.0 110.081 178.399 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.669 HH21 ' HG3' ' A' ' 400' ' ' GLU . 53.3 mtm180 -59.11 -48.64 80.87 Favored 'General case' 0 CA--C 1.519 -0.212 0 C-N-CA 120.568 -0.453 . . . . 0.0 109.851 173.197 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -68.06 -46.67 70.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.153 -178.347 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 405' ' ' GLN . . . . . 0.587 ' O ' HD23 ' A' ' 408' ' ' LEU . 90.5 mt-30 -68.95 -46.22 68.74 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.849 -176.09 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -64.15 -27.53 69.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.995 0.426 . . . . 0.0 110.357 176.458 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.596 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 6.6 t80 -65.5 -57.72 7.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.323 -179.616 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.587 HD23 ' O ' ' A' ' 405' ' ' GLN . 1.3 pt? -76.29 -25.75 55.2 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 119.851 -0.74 . . . . 0.0 110.253 -178.084 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 409' ' ' LEU . . . . . 0.708 HD12 HG23 ' A' ' 432' ' ' VAL . 6.5 tt -58.81 -51.02 71.77 Favored 'General case' 0 C--O 1.223 -0.309 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 174.401 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 40.0 t-20 -57.59 -40.84 79.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.639 176.874 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 39.3 m -63.75 -60.96 2.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.404 179.908 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 4.5 pp -67.34 -18.34 65.12 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 120.853 0.359 . . . . 0.0 111.316 -177.662 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 413' ' ' HIS . . . . . 0.423 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 19.9 t-160 -65.76 -38.64 89.62 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 172.446 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -79.81 -15.11 58.07 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.863 178.433 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -72.94 0.52 10.98 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.859 0.361 . . . . 0.0 110.393 171.208 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.686 HD21 ' HB2' ' A' ' 425' ' ' LYS . 90.2 mt -102.37 -12.11 18.15 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.978 0.418 . . . . 0.0 109.874 174.222 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -107.59 159.15 16.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.233 0.539 . . . . 0.0 112.127 -170.692 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 89.71 11.26 64.08 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.64 179.213 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 91.33 46.49 3.78 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.166 -179.132 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 49.6 mt -108.89 127.83 65.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 179.042 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -90.53 97.76 11.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.044 0.449 . . . . 0.0 109.936 176.456 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 422' ' ' ASP . . . . . 0.513 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 10.2 t70 -153.46 132.45 12.52 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.966 -178.41 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 86.3 mt -112.68 -18.79 12.26 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.112 0.482 . . . . 0.0 110.3 177.741 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 47.6 p -67.21 -38.76 85.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.197 -176.869 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 425' ' ' LYS . . . . . 0.686 ' HB2' HD21 ' A' ' 416' ' ' LEU . 1.8 mmpp? -65.24 -32.13 73.64 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 120.837 0.351 . . . . 0.0 110.221 -179.896 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 426' ' ' GLU . . . . . 0.575 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 35.7 tt0 -67.15 -46.69 73.28 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.815 -178.404 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -63.38 -30.17 71.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.282 175.363 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -75.88 -41.09 53.17 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.8 -177.401 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.5 pp -66.55 -32.8 74.37 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.136 178.287 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -78.66 -26.93 45.17 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 177.977 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.587 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 39.5 tt0 -66.54 -54.65 21.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.562 178.867 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.708 HG23 HD12 ' A' ' 409' ' ' LEU . 29.5 m -68.09 -29.82 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 CA-C-O 120.805 0.336 . . . . 0.0 110.847 179.306 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -67.59 -48.43 66.87 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.483 179.95 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 434' ' ' ARG . . . . . 0.587 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 16.5 ptm180 -64.14 -31.16 72.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.589 -178.223 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 435' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 431' ' ' GLU . 86.2 mt -69.04 -54.83 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.037 178.992 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 436' ' ' LEU . . . . . 0.575 HD22 HG13 ' A' ' 402' ' ' ILE . 4.4 pp -62.09 -33.07 73.76 Favored 'General case' 0 C--N 1.334 -0.096 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.837 -178.926 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 437' ' ' THR . . . . . 0.528 ' O ' ' HG2' ' A' ' 441' ' ' ARG . 54.1 m -71.04 -54.88 9.61 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.77 179.569 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -64.92 -34.38 78.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.903 -175.46 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.475 HD23 ' HB ' ' A' ' 398' ' ' ILE . 50.9 tp -65.7 -54.9 21.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.635 -178.319 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 440' ' ' LYS . . . . . . . . . . . . . 58.2 pttt -61.53 -32.06 72.11 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 121.317 0.58 . . . . 0.0 110.663 -177.184 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 441' ' ' ARG . . . . . 0.528 ' HG2' ' O ' ' A' ' 437' ' ' THR . 37.3 mmt180 -68.54 -52.53 30.97 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.751 179.693 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.13 7.85 23.23 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -176.375 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 16.1 tp -127.18 -1.53 6.4 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.269 178.246 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 444' ' ' ARG . . . . . 0.498 ' HB2' ' OE1' ' A' ' 395' ' ' GLN . 60.7 ttt-85 -138.24 -51.49 0.59 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.712 0.291 . . . . 0.0 111.098 178.047 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 445' ' ' GLU . . . . . 0.476 ' HG3' HH11 ' A' ' 441' ' ' ARG . 4.6 mm-40 -75.77 -22.65 56.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.566 -176.409 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.518 -0.753 . . . . 0.0 110.266 178.376 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.571 0 N-CA-C 111.778 -0.529 . . . . 0.0 111.778 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 44.9 m 63.76 -161.7 0.29 Allowed 'General case' 0 C--O 1.234 0.281 0 C-N-CA 122.575 0.35 . . . . 0.0 111.721 177.068 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.11 102.19 0.05 Allowed 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.086 -178.128 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 5.6 m -130.32 107.89 9.6 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.411 175.282 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 395' ' ' GLN . . . . . 0.533 ' O ' ' HB2' ' A' ' 399' ' ' LYS . 14.1 mm100 -66.87 -33.12 74.9 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.453 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -70.1 -10.78 59.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.529 174.49 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -69.09 -69.23 1.43 Allowed Glycine 0 N--CA 1.442 -0.905 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.647 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -64.84 -28.33 44.56 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.096 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.782 ' HA ' ' HE2' ' A' ' 399' ' ' LYS . 0.0 OUTLIER -58.61 -58.26 9.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.076 0.465 . . . . 0.0 110.914 178.833 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 400' ' ' GLU . . . . . 0.676 ' HG3' HH21 ' A' ' 403' ' ' ARG . 34.3 tt0 -71.73 -42.62 67.08 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.679 -177.658 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 401' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 47.8 mt-10 -61.71 -42.65 99.23 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.6 179.085 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 402' ' ' ILE . . . . . 0.647 HD12 HD11 ' A' ' 398' ' ' ILE . 9.5 tt -64.59 -28.69 45.4 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.256 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.545 -177.805 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.676 HH21 ' HG3' ' A' ' 400' ' ' GLU . 81.8 mtm180 -57.53 -48.86 78.15 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 120.139 -0.624 . . . . 0.0 109.344 172.408 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -72.29 -39.92 67.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.245 178.52 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 405' ' ' GLN . . . . . 0.555 ' HB2' ' HA ' ' A' ' 402' ' ' ILE . 95.8 mt-30 -64.41 -50.16 68.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.3 -177.628 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 406' ' ' GLU . . . . . 0.472 ' HG2' HG12 ' A' ' 402' ' ' ILE . 6.8 mm-40 -66.71 -27.73 67.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.004 0.431 . . . . 0.0 109.98 177.234 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.613 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.5 t80 -66.15 -51.25 59.63 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.937 177.971 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.785 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.9 pp -70.42 -33.97 71.97 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.346 178.243 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 409' ' ' LEU . . . . . 0.605 ' HA ' HD12 ' A' ' 412' ' ' LEU . 28.9 tp -57.39 -41.1 79.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.396 0.617 . . . . 0.0 109.772 175.216 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -57.57 -48.8 78.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.795 178.529 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 35.0 p -67.65 -42.94 81.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.658 -177.967 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.785 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 15.2 mt -55.44 -44.61 76.5 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-O 121.721 0.772 . . . . 0.0 109.83 175.6 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 413' ' ' HIS . . . . . 0.512 ' HD2' HD22 ' A' ' 429' ' ' LEU . 32.5 m170 -62.5 -45.04 94.83 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.477 -1.238 . . . . 0.0 111.72 178.268 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 414' ' ' ARG . . . . . 0.409 ' HA ' ' HG2' ' A' ' 417' ' ' GLN . 47.0 mtp180 -79.14 -1.65 37.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.742 0.306 . . . . 0.0 111.306 -178.738 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -102.16 7.74 40.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.305 0.574 . . . . 0.0 109.706 177.957 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 412' ' ' LEU . 74.9 mt -115.54 -48.46 2.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.807 175.479 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 417' ' ' GLN . . . . . 0.409 ' HG2' ' HA ' ' A' ' 414' ' ' ARG . 13.4 pt20 -69.23 138.43 53.99 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.908 -178.29 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 110.41 12.82 16.28 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.875 -0.679 . . . . 0.0 111.421 -175.032 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 84.69 36.57 11.6 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.464 179.606 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 15.9 mm -108.01 134.45 49.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 -178.877 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -115.29 94.65 4.82 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.092 0.472 . . . . 0.0 110.905 178.619 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -125.22 116.88 22.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.53 177.679 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.6 mp -82.93 -33.95 26.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.9 -175.079 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 424' ' ' SER . . . . . 0.49 ' O ' ' HB2' ' A' ' 428' ' ' ARG . 8.6 t -65.85 -44.96 83.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.838 -176.022 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 43.7 mttp -75.28 -29.09 60.01 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 121.151 -0.22 . . . . 0.0 110.489 179.535 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 426' ' ' GLU . . . . . 0.637 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 40.9 tt0 -63.46 -50.06 71.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.302 0.573 . . . . 0.0 110.48 178.91 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -72.3 -23.96 61.26 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.122 177.756 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 428' ' ' ARG . . . . . 0.49 ' HB2' ' O ' ' A' ' 424' ' ' SER . 47.5 ttt180 -74.02 -46.55 42.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.406 -178.273 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.637 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.1 pp -60.09 -35.59 75.55 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.12 176.791 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -74.11 -32.64 63.29 Favored 'General case' 0 N--CA 1.445 -0.716 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.489 178.428 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.495 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 11.3 tp10 -62.21 -56.33 19.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.909 178.217 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.523 HG21 HD11 ' A' ' 408' ' ' LEU . 13.3 p -66.4 -33.0 60.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.918 -178.942 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 433' ' ' GLN . . . . . 0.481 ' HB2' ' O ' ' A' ' 429' ' ' LEU . 42.6 tt0 -63.67 -45.99 87.58 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 120.798 0.332 . . . . 0.0 110.297 -177.435 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 434' ' ' ARG . . . . . 0.495 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 32.0 ptt180 -67.91 -32.09 72.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.523 -178.515 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 435' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 431' ' ' GLU . 76.8 mt -69.1 -57.12 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 121.127 -0.229 . . . . 0.0 111.243 178.89 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 436' ' ' LEU . . . . . 0.452 HD12 ' N ' ' A' ' 437' ' ' THR . 4.4 pp -58.06 -34.68 70.38 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.672 0.272 . . . . 0.0 110.899 -178.719 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 437' ' ' THR . . . . . 0.553 ' O ' ' HG2' ' A' ' 441' ' ' ARG . 58.2 m -70.62 -57.35 4.82 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.623 177.981 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.11 -38.96 84.57 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.755 0.312 . . . . 0.0 111.248 -175.675 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.439 HD23 ' HB ' ' A' ' 398' ' ' ILE . 39.8 tp -65.5 -54.5 27.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.2 -176.961 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 440' ' ' LYS . . . . . 0.466 ' HB3' HG13 ' A' ' 398' ' ' ILE . 61.5 pttt -63.67 -29.92 71.09 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.923 0.392 . . . . 0.0 110.94 -175.448 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 441' ' ' ARG . . . . . 0.553 ' HG2' ' O ' ' A' ' 437' ' ' THR . 34.9 mmt180 -73.91 -48.97 27.06 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.852 -179.027 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -66.18 -27.23 67.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.817 178.396 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 21.6 tp -80.31 -23.36 40.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.426 -177.735 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -103.82 -39.68 6.55 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -179.38 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -84.48 26.74 0.76 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.004 0.43 . . . . 0.0 111.359 -175.52 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.872 0 CA-C-O 118.762 -0.637 . . . . 0.0 110.055 176.085 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.574 0 N-CA-C 111.732 -0.547 . . . . 0.0 111.732 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 67.1 m 69.52 142.56 0.04 OUTLIER 'General case' 0 C--O 1.233 0.194 0 C-N-CA 123.178 0.591 . . . . 0.0 110.877 -175.298 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 9.5 mp0 -60.5 152.18 26.54 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.852 -179.595 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 17.2 p -73.17 74.41 1.27 Allowed 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.986 0.735 . . . . 0.0 112.986 -173.462 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -74.85 -33.63 62.17 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 173.339 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -68.71 -21.48 64.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.805 171.978 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.58 -55.33 23.52 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.936 177.981 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.562 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -67.69 -34.47 68.06 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.863 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 177.187 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.511 ' O ' HG22 ' A' ' 402' ' ' ILE . 0.3 OUTLIER -61.03 -49.71 76.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.826 0.346 . . . . 0.0 111.703 -177.676 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -68.17 -46.92 69.39 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.309 0.576 . . . . 0.0 110.172 179.786 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 401' ' ' GLU . . . . . 0.513 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 5.7 mm-40 -65.58 -37.22 86.05 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.608 -0.723 . . . . 0.0 111.593 -178.981 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 402' ' ' ILE . . . . . 0.562 HD12 HD11 ' A' ' 398' ' ' ILE . 12.0 tt -68.17 -30.22 47.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -177.739 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.673 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 97.6 mtt180 -62.61 -43.28 99.19 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 173.928 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 404' ' ' ARG . . . . . 0.507 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 64.3 mtt85 -67.04 -49.24 65.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.918 175.23 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 405' ' ' GLN . . . . . 0.513 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 53.5 mt-30 -58.9 -58.88 6.67 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.004 -178.978 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -60.62 -27.04 67.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.752 0.31 . . . . 0.0 110.747 -179.645 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.673 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 6.6 t80 -63.51 -60.05 3.86 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.977 178.073 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.633 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.2 pp -70.58 -29.21 65.58 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 -179.336 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 409' ' ' LEU . . . . . 0.557 ' HG ' ' HB2' ' A' ' 429' ' ' LEU . 7.9 tt -60.57 -47.23 87.09 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 176.391 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 410' ' ' ASN . . . . . 0.455 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 11.0 t30 -61.92 -42.49 99.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.229 177.472 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 22.2 m -59.86 -52.87 63.6 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.855 179.653 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.679 ' HB2' ' HB3' ' A' ' 425' ' ' LYS . 3.9 pp -75.59 -18.88 59.59 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.309 -0.557 . . . . 0.0 111.208 -178.751 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 413' ' ' HIS . . . . . 0.424 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 2.3 t60 -67.14 -43.04 83.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.057 0.456 . . . . 0.0 109.862 175.202 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 414' ' ' ARG . . . . . 0.455 ' HG2' ' O ' ' A' ' 410' ' ' ASN . 11.3 ptm180 -80.11 -13.66 59.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 177.811 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 415' ' ' ASP . . . . . 0.458 ' HB2' ' HA ' ' A' ' 412' ' ' LEU . 15.1 t70 -65.75 -23.59 66.76 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.549 0.69 . . . . 0.0 110.016 174.688 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.744 HD21 ' HB2' ' A' ' 425' ' ' LYS . 24.9 mt -79.25 -6.46 56.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.999 -179.194 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -125.58 177.66 6.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.894 0.378 . . . . 0.0 111.506 -172.73 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 89.07 16.96 57.01 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.231 -177.208 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 96.89 28.55 8.69 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.783 -178.766 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 48.5 mm -113.2 141.91 27.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 -178.179 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 20.4 pttm -111.26 80.06 1.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.781 0.801 . . . . 0.0 110.395 175.373 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 422' ' ' ASP . . . . . 0.46 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 11.1 t70 -119.64 137.79 53.66 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.535 179.464 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -120.38 -7.17 9.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.142 0.496 . . . . 0.0 110.507 176.226 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 38.6 m -73.84 -40.42 63.32 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.178 -177.296 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 425' ' ' LYS . . . . . 0.744 ' HB2' HD21 ' A' ' 416' ' ' LEU . 28.1 mmtm -69.44 -30.43 68.35 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 178.957 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 426' ' ' GLU . . . . . 0.597 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 8.4 tp10 -65.33 -49.69 68.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.934 -177.686 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -69.84 -27.21 64.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.966 178.594 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 428' ' ' ARG . . . . . 0.487 ' O ' HG23 ' A' ' 432' ' ' VAL . 22.8 tpt180 -74.42 -45.44 46.51 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.219 -178.087 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.637 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.3 pp -62.13 -35.84 79.97 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.347 -179.965 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -68.61 -33.42 74.01 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.163 179.487 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.535 ' HG3' ' HE ' ' A' ' 434' ' ' ARG . 35.9 tt0 -68.82 -43.95 74.51 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.088 175.277 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 428' ' ' ARG . 61.0 t -59.13 -47.46 90.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.289 0.566 . . . . 0.0 109.981 175.142 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -61.9 -43.9 97.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.651 -178.393 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 434' ' ' ARG . . . . . 0.535 ' HE ' ' HG3' ' A' ' 431' ' ' GLU . 36.3 ptt180 -68.06 -25.08 65.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.646 -176.887 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 435' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 431' ' ' GLU . 74.1 mt -76.06 -56.69 7.73 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-N 116.822 -0.172 . . . . 0.0 110.868 177.853 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 436' ' ' LEU . . . . . 0.429 HD12 ' N ' ' A' ' 437' ' ' THR . 3.8 pp -60.73 -32.49 71.76 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.505 0.193 . . . . 0.0 111.24 -178.434 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 437' ' ' THR . . . . . 0.689 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 79.0 m -69.54 -54.38 14.4 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.75 177.296 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 438' ' ' ALA . . . . . 0.531 ' O ' ' HD2' ' A' ' 442' ' ' LYS . . . -63.05 -38.97 93.3 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.763 -0.199 . . . . 0.0 110.766 -177.54 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.5 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 36.1 tp -59.84 -54.69 43.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.134 -177.207 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 440' ' ' LYS . . . . . 0.689 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 62.5 pttt -62.85 -33.58 75.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.811 0.338 . . . . 0.0 111.243 -177.266 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -72.9 -50.23 24.96 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.681 -179.801 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 442' ' ' LYS . . . . . 0.531 ' HD2' ' O ' ' A' ' 438' ' ' ALA . 0.7 OUTLIER -67.99 -20.21 65.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.775 -177.097 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 77.8 mt -87.82 -33.91 18.44 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.559 179.745 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -94.12 -43.3 8.55 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -175.895 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -87.06 24.15 1.61 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.425 -172.175 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.86 0 CA-C-O 118.686 -0.674 . . . . 0.0 110.638 179.839 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.675 0 N-CA-C 111.946 -0.462 . . . . 0.0 111.946 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 36.3 m 59.32 35.37 23.22 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.412 0.625 . . . . 0.0 110.368 -176.469 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -138.0 141.9 40.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.323 -175.712 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 11.6 m -148.16 112.29 5.2 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.529 174.711 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -64.87 -33.48 76.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.108 0.48 . . . . 0.0 110.004 176.148 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -69.07 -15.29 63.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.343 174.46 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.62 -56.37 19.73 Favored Glycine 0 N--CA 1.447 -0.595 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.409 178.162 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.51 ' CD1' ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -69.7 -29.22 40.29 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.859 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 177.066 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.453 ' O ' HG22 ' A' ' 402' ' ' ILE . 0.6 OUTLIER -57.95 -53.21 60.86 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.693 -178.905 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 400' ' ' GLU . . . . . 0.507 ' HA ' ' HD3' ' A' ' 403' ' ' ARG . 0.4 OUTLIER -71.71 -39.36 70.21 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 177.453 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 401' ' ' GLU . . . . . 0.443 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 18.9 mm-40 -59.1 -47.93 83.47 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.61 178.713 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 402' ' ' ILE . . . . . 0.453 HG22 ' O ' ' A' ' 399' ' ' LYS . 12.5 tt -65.38 -29.56 47.55 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.469 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -177.424 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.578 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 26.8 mtp85 -58.99 -44.94 91.71 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.112 172.542 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 404' ' ' ARG . . . . . 0.491 ' HG2' ' O ' ' A' ' 400' ' ' GLU . 9.8 mmm180 -75.07 -42.62 56.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.111 0.481 . . . . 0.0 110.298 179.786 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 405' ' ' GLN . . . . . 0.443 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 74.4 mt-30 -67.39 -47.73 69.48 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.499 -177.349 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 406' ' ' GLU . . . . . 0.423 ' HG2' HG12 ' A' ' 402' ' ' ILE . 60.7 mm-40 -63.85 -30.9 71.94 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 176.261 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.578 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 1.4 t80 -57.99 -56.65 19.27 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.88 177.84 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.507 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.5 pp -74.51 -30.76 61.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.355 -179.671 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 409' ' ' LEU . . . . . 0.495 ' N ' HD12 ' A' ' 408' ' ' LEU . 6.6 tt -60.53 -47.85 84.34 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 177.876 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -60.53 -40.95 93.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.216 177.974 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 411' ' ' SER . . . . . 0.446 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 23.0 t -63.16 -57.41 10.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.77 179.227 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.605 ' HA ' ' OD1' ' A' ' 415' ' ' ASP . 4.5 pp -67.66 -17.09 64.47 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 122.017 -0.427 . . . . 0.0 111.379 -178.834 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -71.78 -37.67 70.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.657 0.265 . . . . 0.0 110.599 174.01 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 414' ' ' ARG . . . . . 0.617 ' O ' ' HG3' ' A' ' 417' ' ' GLN . 12.3 ptm180 -85.26 -1.88 57.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.805 0.336 . . . . 0.0 111.208 179.392 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 415' ' ' ASP . . . . . 0.605 ' OD1' ' HA ' ' A' ' 412' ' ' LEU . 1.1 m-20 -61.47 -28.01 68.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.403 165.347 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 3.5 mp -90.62 43.79 1.16 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.949 -178.661 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 417' ' ' GLN . . . . . 0.617 ' HG3' ' O ' ' A' ' 414' ' ' ARG . 48.6 mt-30 -62.5 165.81 5.84 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.963 0.411 . . . . 0.0 111.424 175.444 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -65.95 117.65 10.13 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.064 179.392 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 109.45 -11.84 33.26 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 121.14 -0.552 . . . . 0.0 111.851 -178.125 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 31.0 mm -97.67 133.04 41.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.754 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -115.56 100.82 8.34 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.823 0.344 . . . . 0.0 110.167 178.369 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 422' ' ' ASP . . . . . 0.646 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 10.3 t70 -146.32 122.58 10.89 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 177.281 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 93.6 mt -94.2 -19.72 20.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.025 0.441 . . . . 0.0 111.105 -176.439 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 68.4 m -72.56 -32.25 65.91 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -176.01 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 425' ' ' LYS . . . . . 0.646 ' HG2' ' OD1' ' A' ' 422' ' ' ASP . 52.1 mmtt -59.68 -36.88 77.36 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.113 0.482 . . . . 0.0 110.416 178.328 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 426' ' ' GLU . . . . . 0.559 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 40.7 tt0 -77.66 -42.43 34.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.078 -175.238 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -62.61 -32.46 73.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.411 0.624 . . . . 0.0 109.701 174.672 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 428' ' ' ARG . . . . . 0.552 ' O ' HG23 ' A' ' 432' ' ' VAL . 23.9 ttm180 -75.6 -45.06 39.72 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.802 -177.561 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.6 pp -60.63 -33.43 72.76 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.52 179.258 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 430' ' ' TRP . . . . . 0.457 ' N ' HD12 ' A' ' 429' ' ' LEU . 2.2 t90 -75.27 -33.08 61.23 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.326 178.52 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -59.01 -51.76 68.7 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 174.553 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 428' ' ' ARG . 32.6 t -58.69 -48.95 84.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.556 178.212 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -62.07 -44.25 97.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.242 -175.818 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 434' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -70.36 -24.66 63.01 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.788 -175.757 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 435' ' ' ILE . . . . . . . . . . . . . 74.8 mt -78.09 -56.21 8.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.625 -0.262 . . . . 0.0 110.683 178.029 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 436' ' ' LEU . . . . . 0.488 HD23 HG12 ' A' ' 432' ' ' VAL . 4.5 pp -61.47 -29.99 70.32 Favored 'General case' 0 N--CA 1.461 0.112 0 CA-C-O 120.834 0.349 . . . . 0.0 110.965 -179.241 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 437' ' ' THR . . . . . 0.61 ' HA ' ' NZ ' ' A' ' 440' ' ' LYS . 96.7 m -71.28 -58.42 3.55 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.645 177.369 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -58.89 -32.03 69.14 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.931 0.396 . . . . 0.0 110.981 -176.825 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.461 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 26.1 tp -66.69 -60.72 2.44 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.605 -179.756 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 440' ' ' LYS . . . . . 0.61 ' NZ ' ' HA ' ' A' ' 437' ' ' THR . 26.3 pttm -64.82 -28.34 69.49 Favored 'General case' 0 CA--C 1.517 -0.293 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.432 -175.712 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 441' ' ' ARG . . . . . 0.482 ' HG2' ' O ' ' A' ' 437' ' ' THR . 38.4 mmt180 -62.96 -60.14 3.87 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.263 178.083 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 442' ' ' LYS . . . . . 1.022 ' HA ' ' HA ' ' A' ' 446' ' ' ALA . 3.2 mptp? -80.17 0.1 33.74 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -174.89 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 58.7 mt -99.71 -15.54 18.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.666 0.27 . . . . 0.0 110.715 172.801 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -111.53 -65.75 1.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 0.0 111.276 179.277 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 445' ' ' GLU . . . . . 0.419 ' H ' ' HG2' ' A' ' 445' ' ' GLU . 8.2 pt-20 -91.84 -25.53 18.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.503 -178.038 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 446' ' ' ALA . . . . . 1.022 ' HA ' ' HA ' ' A' ' 442' ' ' LYS . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-N 115.012 -0.995 . . . . 0.0 112.177 175.525 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.565 0 N-CA-C 112.042 -0.423 . . . . 0.0 112.042 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 49.1 m 69.16 23.01 6.55 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.114 0.565 . . . . 0.0 112.176 177.975 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 393' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 393' ' ' GLU . 0.4 OUTLIER -101.32 106.52 17.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.624 0.726 . . . . 0.0 110.72 175.978 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -126.25 112.72 16.07 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.753 -179.037 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -73.51 -34.86 65.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.684 175.607 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -70.75 -18.73 62.77 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.461 176.316 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.89 -57.75 14.72 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 111.409 -0.677 . . . . 0.0 111.409 179.246 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.547 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -70.44 -34.16 56.73 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.651 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 177.019 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.822 ' HA ' ' HE2' ' A' ' 399' ' ' LYS . 0.4 OUTLIER -54.57 -48.46 72.05 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.785 0.326 . . . . 0.0 111.594 -179.294 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 400' ' ' GLU . . . . . 0.446 ' OE1' ' HD2' ' A' ' 403' ' ' ARG . 4.7 tp10 -73.46 -47.58 40.41 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-O 121.235 0.541 . . . . 0.0 110.16 -177.74 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -60.2 -43.47 95.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.094 179.798 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 402' ' ' ILE . . . . . 0.547 HD12 HD11 ' A' ' 398' ' ' ILE . 13.2 tt -65.74 -29.39 46.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 O-C-N 123.114 0.258 . . . . 0.0 110.475 -176.964 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.605 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 62.4 mtt180 -57.74 -51.77 68.21 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 172.686 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 404' ' ' ARG . . . . . 0.407 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 3.3 mmp_? -68.34 -44.19 75.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.062 178.995 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 405' ' ' GLN . . . . . 0.482 ' OE1' ' HB3' ' A' ' 436' ' ' LEU . 98.7 mt-30 -61.36 -51.5 68.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.702 -177.694 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 406' ' ' GLU . . . . . 0.449 ' HG3' HG12 ' A' ' 402' ' ' ILE . 48.2 mt-10 -69.73 -23.03 63.34 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.693 179.617 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.605 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.8 t80 -68.56 -50.25 53.27 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 176.741 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.762 HD11 HG11 ' A' ' 432' ' ' VAL . 3.5 pp -73.43 -27.68 61.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.593 177.617 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 409' ' ' LEU . . . . . 0.405 ' N ' HD12 ' A' ' 408' ' ' LEU . 8.0 tt -64.98 -42.69 94.31 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 174.328 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 410' ' ' ASN . . . . . 0.526 ' O ' ' HG3' ' A' ' 414' ' ' ARG . 2.3 t-20 -60.74 -47.86 84.38 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.198 172.714 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 23.0 t -56.8 -54.64 44.1 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.689 179.322 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.872 HD11 ' HB3' ' A' ' 429' ' ' LEU . 4.5 pp -65.95 -24.37 66.79 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 120.765 0.317 . . . . 0.0 111.402 -178.468 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 413' ' ' HIS . . . . . 0.42 ' N ' HD12 ' A' ' 412' ' ' LEU . 1.9 m170 -68.04 -36.33 79.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.778 0.323 . . . . 0.0 110.65 173.412 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 414' ' ' ARG . . . . . 0.526 ' HG3' ' O ' ' A' ' 410' ' ' ASN . 67.8 mtt180 -68.97 -23.87 64.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.99 176.88 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -76.88 -26.06 53.78 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.476 175.969 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.513 HD21 ' HB2' ' A' ' 425' ' ' LYS . 58.3 mt -85.54 -47.83 9.51 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -175.724 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -78.08 141.11 39.01 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.447 0.642 . . . . 0.0 111.125 -174.492 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 117.15 21.11 4.59 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.333 -0.849 . . . . 0.0 112.392 -177.375 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 79.52 27.92 53.39 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.383 179.175 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 25.9 mm -97.97 126.38 50.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.942 0.401 . . . . 0.0 110.599 -177.885 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -96.6 89.23 4.9 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.926 0.393 . . . . 0.0 110.092 177.021 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 422' ' ' ASP . . . . . 0.673 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 9.8 t70 -127.82 132.85 49.41 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.531 178.988 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 70.1 mt -105.2 -18.23 14.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.945 0.402 . . . . 0.0 110.706 -176.955 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 44.4 t -67.41 -46.27 73.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.347 -177.326 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 425' ' ' LYS . . . . . 0.673 ' HD3' ' OD1' ' A' ' 422' ' ' ASP . 11.3 mptt -64.21 -27.03 68.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.675 -179.821 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 426' ' ' GLU . . . . . 0.564 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 34.4 tt0 -69.29 -51.42 37.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.018 0.437 . . . . 0.0 110.507 -177.506 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -68.17 -23.02 64.81 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.387 178.429 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -74.83 -48.27 26.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.122 178.43 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.872 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.5 pp -63.48 -31.67 72.9 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.175 -179.551 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -76.47 -29.81 57.04 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.404 -179.962 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.469 ' O ' HG13 ' A' ' 435' ' ' ILE . 9.4 tp10 -66.03 -58.05 6.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.06 0.457 . . . . 0.0 109.772 178.559 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.762 HG11 HD11 ' A' ' 408' ' ' LEU . 28.3 m -63.8 -29.6 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.947 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 433' ' ' GLN . . . . . 0.442 ' HB2' ' O ' ' A' ' 429' ' ' LEU . 47.9 tt0 -65.24 -52.73 52.68 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.473 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 434' ' ' ARG . . . . . . . . . . . . . 40.4 ptt180 -67.71 -23.18 65.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.962 -176.074 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 435' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 431' ' ' GLU . 81.7 mt -76.01 -56.49 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.714 -0.221 . . . . 0.0 110.476 176.022 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 436' ' ' LEU . . . . . 0.482 ' HB3' ' OE1' ' A' ' 405' ' ' GLN . 4.5 pp -61.15 -35.21 76.47 Favored 'General case' 0 N--CA 1.457 -0.093 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.323 -179.023 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 88.3 m -66.68 -60.98 2.22 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.559 177.39 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -58.27 -42.21 86.01 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.224 -174.591 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.629 ' O ' ' HB2' ' A' ' 443' ' ' LEU . 45.4 tp -63.24 -57.96 8.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.255 -176.609 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 440' ' ' LYS . . . . . 0.474 ' HB3' HG13 ' A' ' 398' ' ' ILE . 17.1 pttp -67.03 -28.44 68.23 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.699 0.285 . . . . 0.0 111.699 -173.575 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 27.7 mmm180 -71.57 -48.62 47.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.591 -179.822 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -74.26 -13.51 60.78 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.952 0.405 . . . . 0.0 110.983 178.332 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.629 ' HB2' ' O ' ' A' ' 439' ' ' LEU . 0.2 OUTLIER -88.47 -51.48 5.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.789 -177.516 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 48.4 ttt85 -91.57 -34.58 14.68 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -173.004 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -81.33 24.58 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.873 0.368 . . . . 0.0 111.763 -173.416 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.816 0 CA-C-O 118.243 -0.884 . . . . 0.0 109.862 177.854 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.705 0 N-CA-C 111.849 -0.501 . . . . 0.0 111.849 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 22.0 p -82.0 -18.2 44.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.702 0.287 . . . . 0.0 110.544 177.987 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 393' ' ' GLU . . . . . 0.416 ' H ' HD11 ' A' ' 443' ' ' LEU . 4.3 mm-40 62.53 18.61 10.58 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.131 178.58 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 2.2 p -86.09 93.68 9.06 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.849 -177.344 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 395' ' ' GLN . . . . . 0.667 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 24.5 mm-40 -64.51 -36.21 83.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.978 0.418 . . . . 0.0 109.9 174.032 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -66.45 -16.01 63.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.377 176.181 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.73 -56.8 12.94 Favored Glycine 0 N--CA 1.448 -0.567 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.744 178.1 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 398' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -25.61 36.42 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.759 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.299 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.667 ' HG2' ' O ' ' A' ' 395' ' ' GLN . 31.9 mmtp -59.83 -50.21 74.68 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.598 176.7 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 400' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 404' ' ' ARG . 9.3 tt0 -65.85 -49.46 68.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.065 0.46 . . . . 0.0 109.811 176.27 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -60.21 -43.18 96.2 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.715 -175.857 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 402' ' ' ILE . . . . . 0.659 HG13 HD22 ' A' ' 436' ' ' LEU . 11.6 tt -67.43 -34.15 66.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 120.996 -0.282 . . . . 0.0 110.596 -177.804 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.614 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 98.4 mtt180 -63.11 -39.96 96.22 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.2 178.001 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 404' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 400' ' ' GLU . 13.6 ptm180 -86.21 -26.12 25.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.719 -178.66 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 405' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -76.16 -47.08 25.58 Favored 'General case' 0 C--O 1.223 -0.335 0 O-C-N 122.315 -0.241 . . . . 0.0 110.473 174.568 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -64.84 -24.72 67.63 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 174.597 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.614 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.2 t80 -60.81 -58.36 8.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.551 175.56 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.476 HD12 ' N ' ' A' ' 409' ' ' LEU . 2.4 pp -72.16 -28.21 63.08 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.083 -179.822 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 409' ' ' LEU . . . . . 0.61 ' O ' ' HB2' ' A' ' 413' ' ' HIS . 7.7 tt -62.63 -44.74 95.52 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 175.85 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.74 -48.52 80.91 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.686 174.103 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 22.5 m -59.57 -50.96 71.88 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.061 -178.596 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.898 HD11 ' HB3' ' A' ' 429' ' ' LEU . 4.4 pp -66.32 -32.2 73.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.983 0.42 . . . . 0.0 110.423 179.046 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 413' ' ' HIS . . . . . 0.61 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 3.3 t-160 -65.27 -38.13 89.34 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.443 179.172 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 32.4 mmt-85 -81.96 -11.72 58.72 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.824 179.272 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -77.09 -15.99 59.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.509 175.47 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.861 HD21 ' HB2' ' A' ' 425' ' ' LYS . 37.8 mt -89.94 -44.36 9.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.245 179.318 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -76.36 146.35 38.82 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.234 0.54 . . . . 0.0 111.174 -173.236 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 110.81 1.41 28.81 Favored Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -176.638 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 96.03 33.34 6.36 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 121.281 -0.485 . . . . 0.0 112.472 179.63 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 15.3 mm -103.06 121.41 54.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 122.684 -0.304 . . . . 0.0 110.276 -179.304 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -95.05 80.82 3.64 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.998 0.428 . . . . 0.0 111.219 179.388 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 422' ' ' ASP . . . . . 0.577 ' OD2' ' HG2' ' A' ' 425' ' ' LYS . 34.8 t70 -124.6 107.39 10.97 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.034 173.943 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 9.0 mp -78.95 -13.2 59.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.542 -178.676 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 2.1 m -57.84 -51.01 71.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.646 -179.631 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 425' ' ' LYS . . . . . 0.861 ' HB2' HD21 ' A' ' 416' ' ' LEU . 33.1 mmtm -63.96 -26.99 68.83 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-O 120.761 0.315 . . . . 0.0 111.081 -178.471 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 426' ' ' GLU . . . . . 0.623 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 38.7 tt0 -70.92 -46.12 63.05 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.076 0.465 . . . . 0.0 110.464 -175.31 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -64.15 -33.2 75.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.292 0.567 . . . . 0.0 109.793 175.448 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 428' ' ' ARG . . . . . 0.532 ' O ' HG22 ' A' ' 432' ' ' VAL . 35.4 mmt180 -74.07 -42.64 59.87 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.055 -177.27 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.898 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.2 pp -61.19 -35.68 77.82 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.73 179.863 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -78.56 -27.73 45.85 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 119.935 -0.706 . . . . 0.0 110.424 178.836 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.546 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 44.1 tt0 -65.43 -58.18 6.48 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.363 -179.893 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.532 HG22 ' O ' ' A' ' 428' ' ' ARG . 3.2 m -63.55 -33.71 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.08 178.732 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -61.79 -50.36 72.65 Favored 'General case' 0 CA--C 1.516 -0.34 0 O-C-N 123.423 0.452 . . . . 0.0 110.039 179.804 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 434' ' ' ARG . . . . . 0.546 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 14.7 ptm180 -67.31 -32.39 73.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.561 -176.308 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 435' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 431' ' ' GLU . 79.2 mt -69.67 -57.62 7.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.262 179.97 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 436' ' ' LEU . . . . . 0.659 HD22 HG13 ' A' ' 402' ' ' ILE . 4.6 pp -60.47 -28.46 68.35 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.761 0.315 . . . . 0.0 110.946 179.762 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 437' ' ' THR . . . . . 0.565 ' HA ' ' NZ ' ' A' ' 440' ' ' LYS . 93.1 m -70.66 -58.22 3.88 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.75 -0.205 . . . . 0.0 110.912 176.452 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -58.4 -38.31 77.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.685 0.279 . . . . 0.0 110.814 -177.515 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 35.4 tp -63.23 -62.5 1.65 Allowed 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.118 -177.704 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 440' ' ' LYS . . . . . 0.565 ' NZ ' ' HA ' ' A' ' 437' ' ' THR . 26.1 pttm -61.85 -32.89 73.27 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.855 0.36 . . . . 0.0 111.916 -173.232 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -72.14 -53.44 12.72 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.716 -179.337 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -70.96 -28.09 64.21 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.21 -0.196 . . . . 0.0 111.523 -178.48 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.416 HD11 ' H ' ' A' ' 393' ' ' GLU . 26.4 tp -72.44 -31.57 65.58 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.601 0.239 . . . . 0.0 110.777 179.909 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -93.95 -49.38 5.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.887 0.375 . . . . 0.0 111.638 179.945 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -88.77 29.5 1.01 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.356 -171.571 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.894 0 CA-C-O 118.359 -0.829 . . . . 0.0 110.599 178.152 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.721 0 N-CA-C 112.274 -0.33 . . . . 0.0 112.274 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 12.0 p -122.97 22.8 9.52 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.264 0.554 . . . . 0.0 110.342 -177.794 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -104.06 22.4 14.73 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.118 -172.887 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.465 ' O ' HD13 ' A' ' 443' ' ' LEU . 1.4 p -78.42 86.74 4.45 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.265 -175.432 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 395' ' ' GLN . . . . . 0.431 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 0.1 OUTLIER -63.43 -39.88 95.67 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.46 0.647 . . . . 0.0 109.615 174.852 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -67.65 -12.24 60.0 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.594 177.927 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.47 -58.94 8.99 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 111.426 -0.67 . . . . 0.0 111.426 178.107 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.524 ' CD1' ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -64.64 -35.26 74.31 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.631 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.897 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.619 ' O ' ' HG3' ' A' ' 403' ' ' ARG . 34.1 mmtp -55.32 -55.03 36.15 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 120.759 0.314 . . . . 0.0 110.722 178.431 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -61.2 -54.14 47.99 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 121.301 0.572 . . . . 0.0 110.658 178.164 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 401' ' ' GLU . . . . . 0.529 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 44.3 mt-10 -58.89 -48.14 82.48 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.451 -176.586 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 402' ' ' ILE . . . . . 0.46 HD12 HD11 ' A' ' 398' ' ' ILE . 11.9 tt -64.92 -34.21 68.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 111.562 0.208 . . . . 0.0 111.562 -172.087 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.619 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 70.6 mtp180 -63.05 -40.97 99.3 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.98 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 404' ' ' ARG . . . . . 0.419 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 79.3 mtt180 -72.29 -40.99 67.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.538 176.582 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 405' ' ' GLN . . . . . 0.529 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 92.9 mt-30 -61.97 -55.86 25.05 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.204 179.166 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 406' ' ' GLU . . . . . 0.456 ' HA ' ' HB3' ' A' ' 409' ' ' LEU . 45.5 mt-10 -65.33 -23.89 67.12 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.795 -178.253 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.543 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.0 t80 -62.75 -55.07 29.97 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 174.304 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.437 HD12 ' N ' ' A' ' 409' ' ' LEU . 2.9 pp -74.58 -24.99 58.99 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.129 179.13 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 409' ' ' LEU . . . . . 0.456 ' HB3' ' HA ' ' A' ' 406' ' ' GLU . 29.2 tp -61.03 -50.15 74.52 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 174.728 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -57.11 -41.11 78.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.025 174.558 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 22.2 t -63.71 -51.67 63.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.163 -178.345 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.593 HD11 ' HB3' ' A' ' 429' ' ' LEU . 4.4 pp -69.1 -19.8 64.06 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -178.148 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 413' ' ' HIS . . . . . 0.4 ' HA ' HD12 ' A' ' 416' ' ' LEU . 3.9 m-70 -68.4 -37.44 80.37 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.098 0.475 . . . . 0.0 110.193 171.776 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -73.27 -20.51 60.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.383 175.011 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 415' ' ' ASP . . . . . 0.591 ' OD2' ' HE3' ' A' ' 425' ' ' LYS . 16.1 t70 -90.21 12.8 16.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.565 0.698 . . . . 0.0 109.741 179.202 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.614 HD21 ' HB2' ' A' ' 425' ' ' LYS . 87.3 mt -100.78 5.86 43.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.028 174.361 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -143.4 166.69 24.07 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.791 -179.084 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 122.21 -16.16 8.69 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.366 -0.921 . . . . 0.0 112.452 178.054 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 118.37 -12.16 12.56 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.277 -179.941 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 420' ' ' ILE . . . . . 0.442 ' H ' HG13 ' A' ' 420' ' ' ILE . 2.6 pp -74.96 169.8 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 CA-C-O 120.621 0.248 . . . . 0.0 110.818 178.488 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -93.62 109.05 20.69 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.276 0.56 . . . . 0.0 110.035 176.827 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -87.59 118.98 27.44 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.414 -178.109 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 5.5 mp -136.74 -65.53 0.55 Allowed 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.687 0.756 . . . . 0.0 109.579 175.13 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 13.7 m -62.53 -36.88 83.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.739 -1.118 . . . . 0.0 111.66 -174.25 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 425' ' ' LYS . . . . . 0.614 ' HB2' HD21 ' A' ' 416' ' ' LEU . 63.9 mmtt -63.3 -34.18 77.12 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.657 0.265 . . . . 0.0 111.129 -175.013 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 426' ' ' GLU . . . . . 0.634 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 39.4 tt0 -74.45 -45.4 46.56 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -178.432 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -65.0 -30.36 71.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.25 0.547 . . . . 0.0 110.165 176.354 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 428' ' ' ARG . . . . . 0.497 ' O ' HG23 ' A' ' 432' ' ' VAL . 14.4 tpt180 -71.61 -45.05 63.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.353 -179.952 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 3.8 pp -64.33 -35.14 79.9 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.986 -176.017 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -73.23 -32.9 65.03 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 121.318 0.58 . . . . 0.0 109.544 179.246 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.524 ' O ' HG13 ' A' ' 435' ' ' ILE . 42.0 tt0 -65.59 -50.1 66.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.622 174.61 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 428' ' ' ARG . 94.7 t -58.16 -46.07 88.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.385 176.979 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -62.06 -44.96 95.55 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.825 -177.311 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 434' ' ' ARG . . . . . 0.479 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 12.8 ptm180 -69.38 -24.61 63.89 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.734 -176.957 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 435' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 431' ' ' GLU . 84.5 mt -76.82 -57.05 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 121.083 -0.247 . . . . 0.0 110.605 176.456 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 436' ' ' LEU . . . . . 0.523 ' HB3' ' OE1' ' A' ' 405' ' ' GLN . 4.4 pp -58.19 -35.86 72.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.148 -177.24 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 437' ' ' THR . . . . . 0.461 ' O ' ' HG2' ' A' ' 441' ' ' ARG . 32.2 m -71.14 -53.41 14.64 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.632 179.044 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -64.21 -34.99 79.37 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.737 0.304 . . . . 0.0 111.111 -176.691 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.539 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 27.4 tp -64.91 -56.16 14.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.557 -177.044 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 440' ' ' LYS . . . . . 0.524 ' HB3' ' CD1' ' A' ' 398' ' ' ILE . 58.0 pttt -63.26 -31.77 73.01 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.51 -178.154 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 441' ' ' ARG . . . . . 0.461 ' HG2' ' O ' ' A' ' 437' ' ' THR . 23.4 mmt180 -70.52 -39.61 73.96 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.942 0.401 . . . . 0.0 110.693 179.208 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -81.64 -6.19 58.77 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.238 179.345 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 86.9 mt -110.43 -7.51 14.77 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 179.324 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 444' ' ' ARG . . . . . 0.427 ' C ' ' HD3' ' A' ' 444' ' ' ARG . 4.1 tmt_? -132.06 -44.93 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.121 -178.549 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 445' ' ' GLU . . . . . 0.437 ' HG3' ' HD2' ' A' ' 441' ' ' ARG . 6.7 mm-40 -79.24 -9.82 59.66 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.941 0.4 . . . . 0.0 110.528 -178.312 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.853 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.312 179.979 . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 111.471 -0.652 . . . . 0.0 111.471 . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 392' ' ' SER . . . . . 0.534 ' O ' HD21 ' A' ' 439' ' ' LEU . 24.4 m -99.02 81.61 2.62 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 174.517 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 393' ' ' GLU . . . . . 0.662 ' HG3' HD11 ' A' ' 443' ' ' LEU . 2.9 mp0 -71.37 -175.15 1.19 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.872 -177.049 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 4.1 m 75.36 132.96 0.05 OUTLIER 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.8 -175.705 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 395' ' ' GLN . . . . . 0.724 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 27.6 mm-40 -58.96 -43.88 91.38 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 174.028 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -54.83 -29.31 54.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.829 172.619 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.15 -58.31 12.23 Favored Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.232 -179.995 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.487 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -66.25 -31.53 54.02 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.685 0 N-CA-C 110.484 -0.191 . . . . 0.0 110.484 -177.945 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.724 ' HG2' ' O ' ' A' ' 395' ' ' GLN . 30.6 mmtp -62.36 -42.51 99.46 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.904 -179.456 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -74.0 -45.43 49.98 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.285 0.564 . . . . 0.0 109.736 178.114 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.51 -43.66 84.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.018 178.098 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 402' ' ' ILE . . . . . 0.61 HG13 HD22 ' A' ' 436' ' ' LEU . 12.7 tt -69.2 -35.19 66.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.078 -174.245 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.54 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 73.6 mtt180 -60.16 -44.47 94.97 Favored 'General case' 0 CA--C 1.521 -0.168 0 C-N-CA 120.069 -0.652 . . . . 0.0 110.055 175.843 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 61.5 mtm-85 -72.51 -40.76 66.59 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.067 178.633 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 405' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -72.92 -32.22 65.16 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -176.9 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 406' ' ' GLU . . . . . 0.628 ' HA ' ' HB3' ' A' ' 409' ' ' LEU . 46.4 mt-10 -83.69 -15.7 47.76 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.279 -0.569 . . . . 0.0 110.267 175.566 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.54 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 6.3 t80 -68.46 -56.45 8.38 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 173.962 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.676 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.2 pp -67.64 -27.92 67.28 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.347 176.192 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 409' ' ' LEU . . . . . 0.628 ' HB3' ' HA ' ' A' ' 406' ' ' GLU . 15.0 tp -55.69 -48.42 75.13 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.026 -0.533 . . . . 0.0 109.936 174.976 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -58.84 -42.77 90.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.085 179.532 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 411' ' ' SER . . . . . 0.438 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 12.1 m -57.26 -57.11 14.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.107 177.42 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.676 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 8.0 mt -55.24 -46.29 76.02 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-O 122.001 0.905 . . . . 0.0 110.258 178.126 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -57.76 -49.38 76.76 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 113.82 -1.536 . . . . 0.0 111.195 -177.531 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 414' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 411' ' ' SER . 14.6 ptt180 -75.85 -18.57 59.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.223 -178.014 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -72.94 -10.17 59.51 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.739 -0.209 . . . . 0.0 110.998 177.313 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.533 HD21 ' HB2' ' A' ' 425' ' ' LYS . 82.5 mt -90.31 -19.17 24.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.851 0.358 . . . . 0.0 111.172 179.487 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -106.18 156.47 18.42 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.145 0.497 . . . . 0.0 111.459 -173.546 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 103.15 16.06 22.01 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.586 -176.054 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 90.29 15.89 56.48 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.421 -179.043 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 41.9 mm -86.63 137.58 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.048 0.452 . . . . 0.0 110.873 -178.989 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 43.0 mttp -115.2 62.88 0.68 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.438 0.637 . . . . 0.0 110.427 -178.841 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 422' ' ' ASP . . . . . 0.492 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 10.5 t70 -102.87 139.28 38.65 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.634 -179.162 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.7 mp -105.38 -28.95 10.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.885 0.374 . . . . 0.0 110.608 -179.394 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 424' ' ' SER . . . . . 0.501 ' HA ' ' HG2' ' A' ' 427' ' ' GLU . 73.8 m -73.69 -31.67 63.54 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.908 -174.127 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 425' ' ' LYS . . . . . 0.533 ' HB2' HD21 ' A' ' 416' ' ' LEU . 47.2 mmtm -65.94 -32.89 74.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.032 0.444 . . . . 0.0 109.981 175.266 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 426' ' ' GLU . . . . . 0.515 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 37.1 tt0 -73.59 -46.01 49.77 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.46 -175.699 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.501 ' HG2' ' HA ' ' A' ' 424' ' ' SER . 17.2 pt-20 -69.5 -23.81 63.67 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.029 178.646 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -78.54 -50.4 11.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.478 -179.457 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.617 ' HB2' HD12 ' A' ' 409' ' ' LEU . 4.1 pp -57.66 -37.26 73.08 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.017 177.931 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -75.65 -30.18 59.38 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.671 -179.653 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.423 ' O ' HG13 ' A' ' 435' ' ' ILE . 45.1 tt0 -61.35 -55.94 25.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.143 178.302 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.441 HG11 HD11 ' A' ' 408' ' ' LEU . 17.9 m -66.36 -32.77 59.55 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.797 -179.323 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -65.56 -48.5 72.18 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 120.858 0.361 . . . . 0.0 110.249 -178.882 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 434' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -66.72 -28.44 68.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.658 -177.635 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 435' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 431' ' ' GLU . 81.3 mt -75.44 -53.9 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.384 177.989 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 436' ' ' LEU . . . . . 0.61 HD22 HG13 ' A' ' 402' ' ' ILE . 4.5 pp -61.7 -31.33 71.46 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.627 -178.432 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 437' ' ' THR . . . . . 0.677 ' O ' ' HG2' ' A' ' 441' ' ' ARG . 56.9 m -69.67 -60.06 2.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.711 177.212 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -57.58 -37.73 73.68 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-O 120.656 0.265 . . . . 0.0 111.322 -177.472 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.534 HD21 ' O ' ' A' ' 392' ' ' SER . 37.3 tp -60.89 -58.62 7.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -178.1 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 440' ' ' LYS . . . . . 0.451 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 58.6 pttt -60.7 -34.56 74.56 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.889 0.376 . . . . 0.0 111.032 -176.487 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 441' ' ' ARG . . . . . 0.677 ' HG2' ' O ' ' A' ' 437' ' ' THR . 13.7 mmm180 -68.79 -50.66 48.46 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.856 -176.965 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -70.07 -19.66 63.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.679 0.276 . . . . 0.0 111.259 179.516 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.662 HD11 ' HG3' ' A' ' 393' ' ' GLU . 4.4 mm? -96.48 -5.49 39.38 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -178.746 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -121.32 -41.1 2.53 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 179.047 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -83.65 -19.72 34.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.67 0.271 . . . . 0.0 111.619 -176.542 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.878 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.384 -178.193 . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.596 0 N-CA-C 111.784 -0.526 . . . . 0.0 111.784 . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 4.0 p -108.94 99.79 9.08 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.288 0.566 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -95.54 119.55 34.24 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.633 178.985 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 15.3 p -125.54 79.88 1.85 Allowed 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -173.677 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 395' ' ' GLN . . . . . 0.437 ' CD ' ' HB2' ' A' ' 444' ' ' ARG . 1.9 mm-40 -79.76 -33.85 40.31 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 169.429 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -67.52 -20.24 65.41 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.481 172.028 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.38 -59.28 8.53 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.473 177.717 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.571 ' HB ' HD23 ' A' ' 439' ' ' LEU . 10.2 tp -69.74 -21.22 24.15 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.687 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 178.259 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.777 ' HA ' ' HE3' ' A' ' 399' ' ' LYS . 0.1 OUTLIER -57.23 -63.53 1.19 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.02 0.438 . . . . 0.0 110.27 175.052 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -66.76 -41.3 87.97 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.602 -179.729 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 401' ' ' GLU . . . . . 0.579 ' HB3' HE21 ' A' ' 405' ' ' GLN . 27.4 mt-10 -60.66 -47.9 84.18 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.279 179.486 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 402' ' ' ILE . . . . . 0.431 ' HA ' ' HB2' ' A' ' 405' ' ' GLN . 9.1 tt -64.91 -29.21 46.73 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.37 0 C-N-CA 121.095 -0.242 . . . . 0.0 110.861 -175.003 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.52 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 97.2 mtt180 -59.17 -48.25 82.31 Favored 'General case' 0 CA--C 1.522 -0.115 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 173.037 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 404' ' ' ARG . . . . . 0.475 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 79.4 mtp180 -70.26 -44.27 68.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.077 178.499 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 405' ' ' GLN . . . . . 0.579 HE21 ' HB3' ' A' ' 401' ' ' GLU . 76.1 mt-30 -60.68 -52.92 63.06 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.505 -179.319 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 406' ' ' GLU . . . . . 0.416 ' HG2' HG12 ' A' ' 402' ' ' ILE . 8.9 mm-40 -61.55 -32.37 72.45 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 118.056 0.389 . . . . 0.0 110.321 178.059 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.52 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.4 t80 -61.53 -56.36 20.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.813 -179.396 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.646 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.0 pp -72.83 -29.11 62.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.77 178.884 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 409' ' ' LEU . . . . . 0.523 ' N ' HD12 ' A' ' 408' ' ' LEU . 34.0 tp -58.02 -51.62 68.9 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.223 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -62.82 -37.66 87.64 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.965 178.715 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 411' ' ' SER . . . . . 0.611 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 50.1 m -61.68 -52.88 62.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.311 -179.46 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.702 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 3.4 pp -79.63 -14.73 58.6 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.156 -0.618 . . . . 0.0 111.355 -178.998 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 413' ' ' HIS . . . . . 0.507 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 1.5 t60 -73.48 -34.29 65.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.78 0.324 . . . . 0.0 110.366 174.519 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 414' ' ' ARG . . . . . 0.611 ' HG2' ' O ' ' A' ' 411' ' ' SER . 31.7 ptt180 -82.0 -20.42 38.49 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 176.259 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -81.1 26.7 0.43 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.488 179.269 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.568 HD21 ' HB3' ' A' ' 425' ' ' LYS . 88.1 mt -108.13 -9.03 15.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.6 175.355 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 417' ' ' GLN . . . . . 0.416 ' NE2' ' HA ' ' A' ' 414' ' ' ARG . 4.9 pm0 -151.42 -179.09 7.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.896 0.379 . . . . 0.0 110.891 -178.819 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 92.51 35.12 6.66 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 -176.052 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 96.25 -10.5 67.48 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -174.442 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 37.0 mm -94.49 135.08 29.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.481 -0.36 . . . . 0.0 110.37 -179.433 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -127.22 99.79 5.81 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 173.808 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 422' ' ' ASP . . . . . 0.409 ' OD1' ' HB2' ' A' ' 425' ' ' LYS . 9.8 t70 -134.44 139.09 45.28 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.05 -174.161 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 91.4 mt -106.99 -41.15 5.26 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.901 0.381 . . . . 0.0 111.266 -177.482 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 424' ' ' SER . . . . . 0.441 ' HA ' ' OE2' ' A' ' 427' ' ' GLU . 74.5 m -69.32 -24.7 63.96 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.518 -177.143 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 425' ' ' LYS . . . . . 0.702 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 0.1 OUTLIER -59.56 -32.62 70.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.463 0.649 . . . . 0.0 109.475 174.075 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 426' ' ' GLU . . . . . 0.612 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 44.6 tt0 -81.63 -35.31 30.18 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.966 -1.016 . . . . 0.0 109.85 -177.679 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.441 ' OE2' ' HA ' ' A' ' 424' ' ' SER . 32.1 mt-10 -63.0 -30.4 71.57 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.748 0.785 . . . . 0.0 109.031 173.316 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 428' ' ' ARG . . . . . 0.444 ' O ' HG23 ' A' ' 432' ' ' VAL . 80.6 mtt180 -80.81 -40.78 24.41 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.704 -177.01 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.6 pp -60.82 -31.87 71.26 Favored 'General case' 0 CA--C 1.52 -0.191 0 C-N-CA 120.405 -0.518 . . . . 0.0 109.972 174.936 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 430' ' ' TRP . . . . . 0.449 ' N ' HD12 ' A' ' 429' ' ' LEU . 3.3 t90 -73.67 -35.76 65.26 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.169 178.79 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -59.99 -49.6 77.05 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.57 175.549 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 428' ' ' ARG . 63.7 t -58.37 -48.68 84.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.74 176.948 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -61.99 -44.68 96.22 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.856 -174.373 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 434' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -70.65 -30.07 66.6 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.033 -175.476 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 435' ' ' ILE . . . . . . . . . . . . . 77.2 mt -70.47 -53.27 23.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.02 177.961 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 436' ' ' LEU . . . . . 0.465 HD12 ' N ' ' A' ' 437' ' ' THR . 4.4 pp -62.4 -33.02 73.96 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.709 0.29 . . . . 0.0 110.766 179.888 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 437' ' ' THR . . . . . 0.465 ' N ' HD12 ' A' ' 436' ' ' LEU . 100.0 m -65.87 -59.23 4.07 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.665 176.293 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -56.59 -37.96 71.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.746 0.307 . . . . 0.0 111.784 -176.463 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.571 HD23 ' HB ' ' A' ' 398' ' ' ILE . 24.8 tp -73.19 -56.31 5.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.463 -175.547 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 440' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' A' ' 436' ' ' LEU . 61.1 pttt -67.23 -31.45 71.82 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.26 -173.925 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 441' ' ' ARG . . . . . 0.902 ' HD3' ' HG3' ' A' ' 445' ' ' GLU . 42.1 mmt180 -72.06 -43.88 64.2 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.056 -178.752 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -84.14 -11.76 56.07 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -177.267 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -104.08 -10.86 17.7 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.878 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 444' ' ' ARG . . . . . 0.571 ' HD2' ' OE2' ' A' ' 445' ' ' GLU . 13.5 ttm180 -138.53 -45.99 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.625 179.014 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 445' ' ' GLU . . . . . 0.902 ' HG3' ' HD3' ' A' ' 441' ' ' ARG . 6.7 mm-40 -79.68 9.02 5.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.647 -174.565 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.387 -0.816 . . . . 0.0 110.4 -178.192 . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.712 0 N-CA-C 111.954 -0.458 . . . . 0.0 111.954 . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 38.4 m -124.5 172.43 9.2 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 -179.952 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -76.81 159.46 30.07 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.969 0.414 . . . . 0.0 110.286 177.641 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 6.0 p -82.76 80.98 8.69 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.343 0.592 . . . . 0.0 112.138 -177.061 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 395' ' ' GLN . . . . . 0.455 ' O ' ' HD3' ' A' ' 399' ' ' LYS . 24.6 mm-40 -69.73 -38.69 76.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.044 175.123 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -64.66 -21.62 66.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.131 174.446 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.01 -59.72 8.18 Favored Glycine 0 N--CA 1.445 -0.714 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.826 178.803 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.502 ' O ' ' HB ' ' A' ' 402' ' ' ILE . 0.0 OUTLIER -66.93 -28.64 43.64 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.873 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 -179.46 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.693 ' O ' HG22 ' A' ' 402' ' ' ILE . 1.1 mptm? -64.3 -45.25 88.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.795 0.331 . . . . 0.0 111.267 178.659 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -70.88 -42.99 69.3 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.019 177.698 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -73.37 -23.38 60.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.779 -177.619 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 402' ' ' ILE . . . . . 0.693 HG22 ' O ' ' A' ' 399' ' ' LYS . 9.7 tp -71.41 -37.32 64.45 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.262 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 176.995 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.666 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 70.2 mtp180 -60.88 -46.62 89.9 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 174.46 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 55.3 mtt-85 -62.7 -52.24 64.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.156 179.148 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 405' ' ' GLN . . . . . 0.635 ' O ' ' HB2' ' A' ' 409' ' ' LEU . 41.8 mt-30 -68.81 -43.59 75.27 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.287 -174.204 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -73.99 -16.09 61.08 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.166 -0.614 . . . . 0.0 110.33 179.672 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.666 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 14.5 t80 -68.67 -60.84 2.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.229 177.135 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.573 HD23 ' O ' ' A' ' 405' ' ' GLN . 2.1 pt? -73.23 -26.07 60.98 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.249 -179.2 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 409' ' ' LEU . . . . . 0.635 ' HB2' ' O ' ' A' ' 405' ' ' GLN . 5.5 tt -58.04 -45.63 86.68 Favored 'General case' 0 C--O 1.219 -0.512 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 174.848 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -59.04 -43.84 91.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.756 176.081 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 411' ' ' SER . . . . . 0.456 ' O ' ' HG3' ' A' ' 414' ' ' ARG . 22.9 t -62.6 -57.77 9.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.738 179.193 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.59 HD22 ' HB3' ' A' ' 428' ' ' ARG . 4.3 pp -64.91 -20.68 66.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.956 0.408 . . . . 0.0 111.387 -179.717 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 15.9 t-160 -73.53 -40.88 63.67 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 175.412 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 414' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' A' ' 411' ' ' SER . 4.2 ppt_? -79.51 -3.71 48.0 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.173 0.511 . . . . 0.0 110.458 177.429 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -89.68 9.98 25.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.049 171.378 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 97.2 mt -113.6 25.02 11.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.057 175.898 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -68.68 158.66 33.7 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.516 -179.287 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -58.39 117.91 11.98 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.764 177.957 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 113.71 -11.94 23.06 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.362 -0.695 . . . . 0.0 111.362 -176.86 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 29.0 mm -103.4 109.71 27.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 177.789 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -93.43 83.52 4.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.23 0.538 . . . . 0.0 110.271 179.417 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 422' ' ' ASP . . . . . 0.574 ' CG ' ' HD3' ' A' ' 425' ' ' LYS . 10.3 t70 -131.86 135.03 46.38 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.157 178.607 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 88.3 mt -105.24 -28.11 11.14 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.047 0.451 . . . . 0.0 111.062 -176.779 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 424' ' ' SER . . . . . 0.406 ' O ' ' HG3' ' A' ' 428' ' ' ARG . 71.5 m -79.42 -23.54 43.13 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.206 -0.452 . . . . 0.0 112.208 -173.131 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 425' ' ' LYS . . . . . 0.574 ' HD3' ' CG ' ' A' ' 422' ' ' ASP . 10.2 mptt -60.96 -33.07 72.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.491 0.662 . . . . 0.0 109.85 171.702 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 426' ' ' GLU . . . . . 0.601 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 45.2 tt0 -75.28 -39.79 59.34 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.565 179.808 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.22 -33.7 75.07 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 174.497 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 428' ' ' ARG . . . . . 0.59 ' HB3' HD22 ' A' ' 412' ' ' LEU . 27.3 mtp180 -71.37 -45.87 61.8 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.183 -176.447 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.5 pp -62.23 -31.68 72.26 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.133 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 430' ' ' TRP . . . . . 0.414 ' N ' HD12 ' A' ' 429' ' ' LEU . 3.0 t90 -75.44 -31.25 60.26 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.731 179.219 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 9.6 tp10 -64.26 -57.4 9.56 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.813 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.543 ' O ' ' HG ' ' A' ' 436' ' ' LEU . 3.9 m -67.17 -30.3 48.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.366 178.921 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 433' ' ' GLN . . . . . 0.545 ' HB2' ' O ' ' A' ' 429' ' ' LEU . 47.4 tt0 -59.25 -48.98 79.6 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-O 121.017 0.437 . . . . 0.0 109.927 -179.419 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 434' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 35.4 ptt180 -71.79 -29.12 64.12 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.522 -176.131 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 435' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 431' ' ' GLU . 74.2 mt -74.03 -59.67 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 121.206 -0.198 . . . . 0.0 111.399 179.639 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 436' ' ' LEU . . . . . 0.557 HD12 ' N ' ' A' ' 437' ' ' THR . 4.6 pp -57.84 -35.9 71.55 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.485 0.183 . . . . 0.0 111.486 -179.42 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 437' ' ' THR . . . . . 0.557 ' N ' HD12 ' A' ' 436' ' ' LEU . 93.8 m -70.56 -50.77 33.94 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.027 179.775 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -65.31 -36.42 83.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.879 0.371 . . . . 0.0 110.776 -176.623 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.556 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 27.1 tp -61.99 -57.57 11.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.499 -177.929 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 440' ' ' LYS . . . . . 0.474 ' HB3' HG13 ' A' ' 398' ' ' ILE . 51.9 pttt -62.58 -30.45 71.34 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.759 0.314 . . . . 0.0 111.229 -178.2 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 441' ' ' ARG . . . . . 0.61 HH11 ' HG3' ' A' ' 445' ' ' GLU . 29.1 mmt180 -70.86 -49.56 44.78 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.52 -178.67 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 442' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 446' ' ' ALA . 12.6 mptt -70.66 -25.81 63.17 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.563 -179.667 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 64.0 mt -88.42 -24.81 22.94 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -177.638 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 444' ' ' ARG . . . . . 0.5 ' NE ' ' HA ' ' A' ' 444' ' ' ARG . 2.9 tpm_? -106.87 -49.19 3.34 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -177.509 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 445' ' ' GLU . . . . . 0.61 ' HG3' HH11 ' A' ' 441' ' ' ARG . 5.8 mm-40 -88.24 24.68 1.81 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.067 -173.022 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 446' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 442' ' ' LYS . . . . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.285 178.81 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 391' ' ' GLY . . . . . 0.405 ' HA2' ' HA ' ' A' ' 444' ' ' ARG . . . . . . . . 0 N--CA 1.483 1.794 0 N-CA-C 111.547 -0.621 . . . . 0.0 111.547 . . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 2.5 p -93.5 -71.87 0.63 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 117.324 0.562 . . . . 0.0 111.495 179.874 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 393' ' ' GLU . . . . . 0.706 ' HG3' ' H ' ' A' ' 394' ' ' THR . 2.3 pt-20 -134.15 -92.49 0.33 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -175.997 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.706 ' H ' ' HG3' ' A' ' 393' ' ' GLU . 3.3 p -86.05 77.13 9.69 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -170.287 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -70.83 -34.92 72.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.608 0.718 . . . . 0.0 109.149 175.352 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 396' ' ' ALA . . . . . 0.584 ' HA ' ' HB2' ' A' ' 399' ' ' LYS . . . -63.31 -13.18 35.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.897 173.977 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -59.43 -54.7 35.59 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.351 -0.7 . . . . 0.0 111.351 177.093 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.615 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -70.79 -34.55 56.77 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.713 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.112 177.425 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.584 ' HB2' ' HA ' ' A' ' 396' ' ' ALA . 1.7 mptm? -57.76 -48.05 80.73 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.857 -179.918 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 400' ' ' GLU . . . . . 0.514 ' HA ' ' HD3' ' A' ' 403' ' ' ARG . 0.5 OUTLIER -70.0 -47.99 59.96 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.169 0.509 . . . . 0.0 109.904 -179.053 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -64.72 -36.65 84.98 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.818 -179.721 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 402' ' ' ILE . . . . . 0.707 HG13 HD13 ' A' ' 436' ' ' LEU . 13.9 tt -67.03 -29.73 47.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 117.849 0.295 . . . . 0.0 110.512 -178.42 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.57 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 26.8 mtp85 -60.15 -47.48 85.74 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 171.784 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 65.3 mtt180 -63.4 -49.93 71.87 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.772 176.487 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 405' ' ' GLN . . . . . 0.509 ' HG3' HD21 ' A' ' 436' ' ' LEU . 12.2 mm100 -65.59 -52.22 53.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.891 -1.05 . . . . 0.0 111.798 -173.924 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 406' ' ' GLU . . . . . 0.418 ' HG2' HG12 ' A' ' 402' ' ' ILE . 21.1 mm-40 -60.83 -29.37 69.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.752 0.31 . . . . 0.0 110.361 178.275 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.57 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.2 t80 -62.36 -55.47 27.67 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.037 0.446 . . . . 0.0 110.046 178.167 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.498 HD12 ' N ' ' A' ' 409' ' ' LEU . 2.7 pp -73.55 -29.49 62.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.247 179.994 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 409' ' ' LEU . . . . . 0.498 ' N ' HD12 ' A' ' 408' ' ' LEU . 7.0 tt -62.49 -47.43 84.01 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 176.078 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -59.43 -38.06 79.71 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.591 175.326 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 411' ' ' SER . . . . . 0.781 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 38.7 m -65.26 -55.47 18.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.962 179.952 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.577 ' HA ' ' OD2' ' A' ' 415' ' ' ASP . 4.3 pp -69.98 -17.76 63.3 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 121.834 -0.541 . . . . 0.0 111.217 179.041 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -74.49 -41.51 60.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.377 175.343 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 414' ' ' ARG . . . . . 0.781 ' HG2' ' O ' ' A' ' 411' ' ' SER . 27.2 ptt180 -69.27 -21.23 63.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.078 -179.129 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 415' ' ' ASP . . . . . 0.577 ' OD2' ' HA ' ' A' ' 412' ' ' LEU . 57.3 m-20 -58.79 -29.18 66.64 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.786 174.177 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 86.5 mt -72.66 -38.36 67.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.735 -176.44 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 417' ' ' GLN . . . . . 0.495 ' HB2' HG12 ' A' ' 420' ' ' ILE . 81.5 mm-40 53.41 18.37 1.33 Allowed 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 177.996 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 77.3 -4.25 55.81 Favored Glycine 0 CA--C 1.524 0.645 0 C-N-CA 121.13 -0.557 . . . . 0.0 113.387 -179.489 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -170.9 53.68 0.19 Allowed Glycine 0 N--CA 1.454 -0.152 0 C-N-CA 120.339 -0.934 . . . . 0.0 113.175 -176.609 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 420' ' ' ILE . . . . . 0.495 HG12 ' HB2' ' A' ' 417' ' ' GLN . 25.3 mm -122.25 143.69 34.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 177.455 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 49.7 mttp -79.76 58.92 2.94 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.148 0.499 . . . . 0.0 111.603 -176.388 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 422' ' ' ASP . . . . . 0.435 ' HB3' ' HD3' ' A' ' 425' ' ' LYS . 1.1 m-20 -124.65 87.53 2.73 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.553 178.298 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 82.7 mt -74.05 -29.82 62.1 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.448 -178.171 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 424' ' ' SER . . . . . 0.564 ' O ' ' HB2' ' A' ' 428' ' ' ARG . 22.9 p -63.37 -38.11 89.89 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.801 -179.214 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 425' ' ' LYS . . . . . 0.461 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 5.1 mptp? -62.84 -42.41 99.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.187 0.518 . . . . 0.0 111.016 178.949 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 426' ' ' GLU . . . . . 0.551 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 9.8 tp10 -65.78 -51.28 60.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.272 -176.154 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.28 -23.16 66.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.638 178.506 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 428' ' ' ARG . . . . . 0.564 ' HB2' ' O ' ' A' ' 424' ' ' SER . 3.4 tpp180 -75.71 -49.84 17.09 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.493 -177.436 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.2 pp -60.46 -34.96 74.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.91 0.386 . . . . 0.0 110.458 -179.533 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -72.07 -31.27 65.95 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.284 179.912 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.606 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 18.8 tp10 -71.43 -43.76 66.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.751 176.502 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 428' ' ' ARG . 58.4 t -58.96 -44.86 92.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.163 0.506 . . . . 0.0 110.147 175.709 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -64.81 -42.78 94.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.156 -177.194 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 434' ' ' ARG . . . . . 0.606 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 3.6 ptm180 -67.49 -34.93 78.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.715 -177.326 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 435' ' ' ILE . . . . . . . . . . . . . 77.0 mt -65.76 -48.85 80.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-O 120.795 0.331 . . . . 0.0 110.129 176.129 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 436' ' ' LEU . . . . . 0.707 HD13 HG13 ' A' ' 402' ' ' ILE . 96.4 mt -57.18 -48.38 78.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.69 177.405 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 32.6 m -58.5 -49.08 78.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.291 -179.974 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.72 -46.4 89.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.963 0.411 . . . . 0.0 110.833 -179.779 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.407 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 44.6 tp -64.29 -53.5 47.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.578 -177.172 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 440' ' ' LYS . . . . . 0.497 ' HB3' HG13 ' A' ' 398' ' ' ILE . 19.7 ptmt -60.46 -40.3 90.7 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -173.734 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 -77.65 -29.12 51.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.866 -175.416 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 442' ' ' LYS . . . . . 0.549 ' O ' ' HB3' ' A' ' 446' ' ' ALA . 11.4 mptt -75.55 -28.38 59.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.851 0.358 . . . . 0.0 110.65 175.718 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.499 HD13 ' O ' ' A' ' 394' ' ' THR . 89.8 mt -78.92 -24.29 44.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.989 0.423 . . . . 0.0 110.963 178.528 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 444' ' ' ARG . . . . . 0.405 ' HA ' ' HA2' ' A' ' 391' ' ' GLY . 31.3 ttt180 -96.69 -55.42 2.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.847 -178.463 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -85.0 -3.68 58.87 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -172.077 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 446' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 442' ' ' LYS . . . . . . . . 0 C--O 1.245 0.867 0 CA-C-O 118.416 -0.802 . . . . 0.0 110.399 179.451 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.82 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 8.5 t -120.74 70.32 0.9 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 175.018 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 16.5 mp0 -69.97 132.96 46.74 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.08 -177.49 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 3.2 m -105.98 118.1 35.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.539 178.389 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 395' ' ' GLN . . . . . 0.438 ' O ' ' HB2' ' A' ' 399' ' ' LYS . 7.9 mm100 -63.02 -36.42 83.5 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.741 0.305 . . . . 0.0 110.391 174.512 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -63.14 -17.8 62.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.973 175.533 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.72 -60.2 8.1 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 111.509 -0.636 . . . . 0.0 111.509 178.355 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.657 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -72.27 -30.04 34.05 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.689 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 176.417 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.86 ' HA ' ' HE2' ' A' ' 399' ' ' LYS . 0.0 OUTLIER -56.66 -52.82 63.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.72 0.295 . . . . 0.0 110.9 -177.69 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -72.49 -41.99 65.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.742 0.306 . . . . 0.0 110.529 -179.57 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 401' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 29.1 mm-40 -56.62 -49.57 74.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.213 177.379 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 402' ' ' ILE . . . . . 0.657 HD12 HD11 ' A' ' 398' ' ' ILE . 14.2 tt -66.37 -26.49 37.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.028 -175.429 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.657 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 97.5 mtt180 -58.36 -51.42 69.89 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 171.822 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -66.96 -49.52 65.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.4 179.295 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 405' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 76.2 mt-30 -60.44 -50.43 73.62 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.992 -175.908 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 406' ' ' GLU . . . . . 0.631 ' HA ' ' HB3' ' A' ' 409' ' ' LEU . 36.0 mt-10 -69.73 -25.44 63.84 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.409 -0.516 . . . . 0.0 111.052 179.944 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.582 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.7 t80 -64.84 -51.79 60.18 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 176.858 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.721 HD11 HG21 ' A' ' 432' ' ' VAL . 3.6 pp -72.73 -31.59 65.07 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.554 177.119 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 409' ' ' LEU . . . . . 0.631 ' HB3' ' HA ' ' A' ' 406' ' ' GLU . 56.5 tp -57.56 -50.66 72.37 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.86 175.634 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 410' ' ' ASN . . . . . 0.437 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 11.4 t30 -62.83 -33.74 75.86 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.783 178.612 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 40.2 m -64.83 -49.11 71.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 177.627 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.705 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 9.6 mt -59.12 -48.62 80.95 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-O 122.052 0.93 . . . . 0.0 109.586 175.495 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 413' ' ' HIS . . . . . 0.42 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 1.6 t-160 -57.92 -43.38 86.23 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 113.619 -1.628 . . . . 0.0 111.722 -175.391 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 414' ' ' ARG . . . . . 0.437 ' HG2' ' O ' ' A' ' 410' ' ' ASN . 17.0 ptm180 -83.53 -13.43 54.54 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 121.149 -0.221 . . . . 0.0 111.276 -178.652 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -72.71 -17.27 61.64 Favored 'General case' 0 C--O 1.219 -0.511 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 -178.906 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.486 HD21 ' HB2' ' A' ' 425' ' ' LYS . 26.2 mt -85.22 -15.86 42.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.426 178.308 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -78.63 138.37 38.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.203 -175.703 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 106.56 8.95 31.93 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.629 -0.796 . . . . 0.0 111.265 -177.259 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 82.73 32.65 26.59 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.958 -177.111 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 32.2 mm -91.35 109.81 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -179.336 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 421' ' ' LYS . . . . . 0.458 ' NZ ' ' HB2' ' A' ' 421' ' ' LYS . 9.2 mtmp? -88.16 72.93 9.05 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.128 178.131 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 422' ' ' ASP . . . . . 0.518 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 10.1 t70 -106.99 112.73 25.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.872 179.646 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 74.5 mt -86.36 -17.94 33.16 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -174.75 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 424' ' ' SER . . . . . 0.411 ' O ' ' HB2' ' A' ' 428' ' ' ARG . 72.7 m -66.77 -48.69 68.25 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.426 178.489 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 425' ' ' LYS . . . . . 0.518 ' HG2' ' OD1' ' A' ' 422' ' ' ASP . 22.8 mmtm -66.03 -35.9 81.81 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 120.989 0.423 . . . . 0.0 109.866 179.113 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 426' ' ' GLU . . . . . 0.61 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 9.4 tp10 -59.82 -57.58 12.26 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.756 -174.452 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -74.95 -20.51 59.65 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.547 -176.717 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 428' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' A' ' 424' ' ' SER . 19.8 tpt180 -77.92 -46.72 20.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.535 179.381 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.0 pp -57.9 -37.85 74.75 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 177.503 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -72.19 -31.3 65.77 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 121.105 0.479 . . . . 0.0 110.514 179.681 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.667 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 32.5 tt0 -72.28 -47.72 47.9 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.625 179.531 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.721 HG21 HD11 ' A' ' 408' ' ' LEU . 12.1 p -69.44 -28.91 39.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.94 0.4 . . . . 0.0 110.228 179.309 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -64.78 -44.31 90.42 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.222 177.868 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 434' ' ' ARG . . . . . 0.667 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 24.9 ptt180 -69.29 -25.85 64.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.335 -178.416 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 435' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 431' ' ' GLU . 81.1 mt -70.01 -59.84 3.08 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.111 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.839 176.853 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 436' ' ' LEU . . . . . 0.429 ' O ' ' HG2' ' A' ' 440' ' ' LYS . 4.4 pp -56.9 -31.91 65.37 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.46 0.172 . . . . 0.0 111.097 -179.454 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 437' ' ' THR . . . . . 0.72 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 64.1 m -68.0 -57.15 6.63 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 121.186 -0.205 . . . . 0.0 110.983 177.355 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.61 -38.75 88.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.908 0.385 . . . . 0.0 110.34 -178.746 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.486 ' HG ' ' HB ' ' A' ' 398' ' ' ILE . 30.9 tp -60.03 -54.06 50.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.117 -178.275 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 440' ' ' LYS . . . . . 0.72 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 52.0 pttt -64.55 -30.89 71.92 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.494 -176.895 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 441' ' ' ARG . . . . . 0.522 ' HG2' ' O ' ' A' ' 437' ' ' THR . 24.4 mmt180 -68.22 -52.72 30.97 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.296 -178.566 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 442' ' ' LYS . . . . . 0.675 ' HA ' ' HB2' ' A' ' 446' ' ' ALA . 15.1 ptmt -76.97 -16.35 59.36 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -178.329 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -94.07 -8.86 38.48 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.273 179.067 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 444' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 444' ' ' ARG . 38.3 ttt-85 -118.9 -64.96 1.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.349 0.595 . . . . 0.0 111.296 178.326 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -112.64 55.87 0.68 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.713 -169.765 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 446' ' ' ALA . . . . . 0.675 ' HB2' ' HA ' ' A' ' 442' ' ' LYS . . . . . . . . 0 C--O 1.248 1.016 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.044 176.216 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.922 0 N-CA-C 112.175 -0.37 . . . . 0.0 112.175 . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 18.3 t -168.73 69.94 0.08 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 -179.342 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -82.18 107.44 14.87 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.589 -169.973 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 1.7 m -103.08 102.58 12.6 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.696 -177.844 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 395' ' ' GLN . . . . . 0.457 ' OE1' ' HB2' ' A' ' 444' ' ' ARG . 16.3 tt0 -76.23 -19.74 58.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.408 0.623 . . . . 0.0 109.366 175.024 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -67.25 -20.32 65.65 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 168.767 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.28 -57.54 14.9 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.508 176.572 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.45 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -65.5 -30.85 51.44 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.659 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.021 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.518 ' O ' HG22 ' A' ' 402' ' ' ILE . 1.0 OUTLIER -57.56 -52.49 65.19 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -177.043 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -71.32 -40.98 70.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.969 0.414 . . . . 0.0 110.808 178.938 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -61.39 -41.71 97.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.958 178.87 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 402' ' ' ILE . . . . . 0.544 ' HA ' ' HB2' ' A' ' 405' ' ' GLN . 14.1 tt -70.03 -29.05 38.56 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.472 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.708 -176.708 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.576 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 93.7 mtt180 -60.95 -44.6 97.05 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 173.454 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -71.1 -43.2 68.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.544 177.59 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 405' ' ' GLN . . . . . 0.544 ' HB2' ' HA ' ' A' ' 402' ' ' ILE . 74.3 mt-30 -65.56 -50.91 63.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.843 -177.853 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -62.9 -31.45 72.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.8 0.333 . . . . 0.0 110.256 177.924 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.576 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.0 t80 -59.67 -55.37 35.18 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.898 177.242 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.665 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.4 pp -73.08 -32.29 64.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.295 -179.419 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 409' ' ' LEU . . . . . 0.516 ' N ' HD12 ' A' ' 408' ' ' LEU . 7.2 tt -60.71 -50.97 71.36 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 177.873 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 410' ' ' ASN . . . . . 0.57 ' O ' ' HG3' ' A' ' 414' ' ' ARG . 6.2 t30 -57.37 -44.19 84.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.123 177.497 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 45.7 m -63.0 -55.75 23.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.639 -178.666 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 4.2 pp -71.35 -14.2 62.11 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 120.93 0.395 . . . . 0.0 110.996 -178.551 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -71.77 -32.06 67.28 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 170.78 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 414' ' ' ARG . . . . . 0.57 ' HG3' ' O ' ' A' ' 410' ' ' ASN . 71.9 mtp180 -82.85 -14.96 53.34 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.292 178.079 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 415' ' ' ASP . . . . . 0.476 ' HB2' ' O ' ' A' ' 412' ' ' LEU . 0.7 OUTLIER -61.26 -18.45 58.45 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.712 171.79 . . . . . . . . 3 3 . 1 . 046 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.668 HD21 ' HB2' ' A' ' 425' ' ' LYS . 36.7 mt -89.35 3.18 53.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.813 -178.345 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -123.64 150.18 44.5 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.144 -172.83 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 103.45 14.92 24.5 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.544 179.58 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 88.23 40.44 6.52 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.69 -0.766 . . . . 0.0 111.428 -179.055 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 51.2 mm -109.79 137.32 42.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.9 0.381 . . . . 0.0 110.699 -175.723 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -106.07 89.79 3.17 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.178 0.513 . . . . 0.0 109.957 175.513 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 422' ' ' ASP . . . . . 0.528 ' CG ' ' HG2' ' A' ' 425' ' ' LYS . 14.3 t0 -139.19 122.4 16.96 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.212 179.663 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.4 mp -102.38 -18.91 15.18 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.125 0.488 . . . . 0.0 110.224 -179.572 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 424' ' ' SER . . . . . 0.458 ' HA ' ' OE2' ' A' ' 427' ' ' GLU . 68.3 m -76.81 -30.37 56.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.851 -174.867 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 425' ' ' LYS . . . . . 0.668 ' HB2' HD21 ' A' ' 416' ' ' LEU . 28.5 mmtp -64.09 -30.98 72.02 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 120.957 0.408 . . . . 0.0 109.905 175.281 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 426' ' ' GLU . . . . . 0.572 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 40.9 tt0 -73.4 -42.29 62.28 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -179.365 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.458 ' OE2' ' HA ' ' A' ' 424' ' ' SER . 28.2 mt-10 -62.15 -33.44 74.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.652 173.644 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 428' ' ' ARG . . . . . 0.558 ' O ' HG12 ' A' ' 432' ' ' VAL . 42.4 ttt180 -75.47 -43.57 48.7 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.744 -175.083 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.6 pp -63.07 -29.53 70.88 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-O 120.776 0.322 . . . . 0.0 110.138 178.801 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -77.21 -30.49 54.68 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 120.251 -0.579 . . . . 0.0 110.239 177.569 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.557 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 24.8 tt0 -69.44 -51.66 34.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.376 179.793 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.558 HG12 ' O ' ' A' ' 428' ' ' ARG . 1.5 p -61.07 -36.73 74.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.231 176.593 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -64.54 -49.03 72.85 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.843 0.354 . . . . 0.0 110.716 179.166 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 434' ' ' ARG . . . . . 0.557 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 29.5 ptt180 -65.23 -23.5 67.09 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.711 -177.021 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 435' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 431' ' ' GLU . 88.4 mt -79.85 -55.24 9.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.882 177.173 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 436' ' ' LEU . . . . . 0.495 ' O ' ' HG2' ' A' ' 440' ' ' LYS . 4.5 pp -61.06 -31.61 71.27 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 121.157 -0.217 . . . . 0.0 110.774 -178.254 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 437' ' ' THR . . . . . 0.441 ' N ' HD12 ' A' ' 436' ' ' LEU . 70.1 m -69.61 -58.72 3.59 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.512 177.399 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.58 -33.82 73.27 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 120.757 0.313 . . . . 0.0 111.119 -177.283 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.487 ' O ' HD23 ' A' ' 443' ' ' LEU . 24.8 tp -63.79 -60.74 2.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.792 -177.786 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 440' ' ' LYS . . . . . 0.495 ' HG2' ' O ' ' A' ' 436' ' ' LEU . 58.1 pttt -63.97 -33.64 76.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.917 0.389 . . . . 0.0 111.241 -176.648 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 441' ' ' ARG . . . . . 0.415 ' O ' ' HG2' ' A' ' 445' ' ' GLU . 33.9 mmt180 -68.46 -55.68 10.99 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.337 -179.369 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 442' ' ' LYS . . . . . 0.403 ' O ' ' HB2' ' A' ' 446' ' ' ALA . 2.1 mptm? -67.63 -28.06 67.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.719 0.295 . . . . 0.0 111.373 -178.987 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.487 HD23 ' O ' ' A' ' 439' ' ' LEU . 4.3 mm? -80.15 -16.48 54.8 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.464 -179.577 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 444' ' ' ARG . . . . . 0.457 ' HB2' ' OE1' ' A' ' 395' ' ' GLN . 49.6 ttp180 -104.97 -68.3 0.87 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.137 0.494 . . . . 0.0 111.516 177.725 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 445' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 441' ' ' ARG . 8.0 pt-20 -93.28 49.02 1.36 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.583 0.706 . . . . 0.0 111.227 -169.029 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 446' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 442' ' ' LYS . . . . . . . . 0 C--O 1.242 0.698 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.031 173.737 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.444 0 N-CA-C 111.695 -0.562 . . . . 0.0 111.695 . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 25.0 t -83.81 92.6 7.79 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 174.926 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 393' ' ' GLU . . . . . 0.563 ' HB2' HD21 ' A' ' 443' ' ' LEU . 14.7 mm-40 -84.15 165.82 18.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.797 -174.385 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 18.6 p -75.85 74.23 2.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.337 0.589 . . . . 0.0 112.078 -178.617 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 395' ' ' GLN . . . . . 0.626 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 0.5 OUTLIER -70.27 -37.19 74.83 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 174.412 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -63.45 -14.1 47.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.48 174.538 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.68 -59.98 8.88 Favored Glycine 0 N--CA 1.441 -1.009 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 177.966 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.598 ' HB ' HD23 ' A' ' 439' ' ' LEU . 0.0 OUTLIER -64.92 -32.56 58.74 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.677 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.302 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.626 ' HG2' ' O ' ' A' ' 395' ' ' GLN . 32.7 mmtp -58.44 -52.65 64.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.925 0.393 . . . . 0.0 110.914 179.245 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 400' ' ' GLU . . . . . 0.683 ' HG3' HH21 ' A' ' 403' ' ' ARG . 44.0 tt0 -70.85 -44.88 65.53 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.764 0.316 . . . . 0.0 110.412 -179.207 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -62.98 -40.97 99.34 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 -178.781 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 402' ' ' ILE . . . . . 0.734 HG13 HD22 ' A' ' 436' ' ' LEU . 12.0 tt -66.88 -33.41 63.22 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.287 0 C-N-CA 121.244 -0.182 . . . . 0.0 110.655 -178.035 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.683 HH21 ' HG3' ' A' ' 400' ' ' GLU . 77.5 mtm180 -58.06 -48.54 79.8 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 175.341 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 404' ' ' ARG . . . . . 0.441 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 83.7 mtp180 -75.93 -37.86 58.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.627 -177.975 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 405' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -71.13 -43.25 67.99 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.544 -178.678 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -68.22 -27.71 66.61 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 174.933 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.6 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.5 t80 -62.31 -54.06 46.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.9 176.949 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.657 HD11 HG11 ' A' ' 432' ' ' VAL . 3.3 pp -74.48 -24.22 58.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 178.821 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 409' ' ' LEU . . . . . 0.447 ' N ' HD12 ' A' ' 408' ' ' LEU . 8.5 tt -65.49 -43.76 89.2 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 174.391 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -58.81 -43.72 90.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.237 172.54 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 411' ' ' SER . . . . . 0.464 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 34.1 t -59.74 -53.54 56.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.082 179.375 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.816 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 4.4 pp -67.73 -24.43 65.37 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 120.439 -0.504 . . . . 0.0 111.3 -179.157 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 413' ' ' HIS . . . . . 0.417 ' N ' HD12 ' A' ' 412' ' ' LEU . 1.4 m80 -68.75 -44.85 72.9 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.529 0.204 . . . . 0.0 111.431 173.892 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 414' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 411' ' ' SER . 16.5 ptp180 -72.73 -10.19 59.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.227 0.537 . . . . 0.0 110.421 178.069 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.77 13.5 34.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.814 174.553 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.653 ' O ' ' HB ' ' A' ' 420' ' ' ILE . 54.0 mt -106.53 -51.93 2.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.251 170.348 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 417' ' ' GLN . . . . . 0.668 ' HB2' HG12 ' A' ' 420' ' ' ILE . 78.4 mt-30 54.44 -159.53 0.17 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.28 176.791 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -97.9 -22.21 16.33 Favored Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.887 176.251 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -126.83 19.36 6.17 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.338 -0.934 . . . . 0.0 114.152 -175.755 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 420' ' ' ILE . . . . . 0.668 HG12 ' HB2' ' A' ' 417' ' ' GLN . 49.9 mm -95.49 118.69 42.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 117.685 0.743 . . . . 0.0 109.459 174.277 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -84.63 86.71 7.28 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.282 -179.275 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 422' ' ' ASP . . . . . 0.444 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 10.1 t70 -132.2 140.9 48.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.95 -178.96 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 78.6 mt -113.73 -35.54 5.14 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-O 121.356 0.598 . . . . 0.0 110.472 179.179 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 4.4 m -59.37 -40.05 85.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.876 -175.885 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 425' ' ' LYS . . . . . 0.816 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 0.3 OUTLIER -56.92 -33.68 67.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.96 -179.785 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 426' ' ' GLU . . . . . 0.458 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 37.1 tt0 -74.66 -44.87 48.22 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -177.018 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -64.8 -30.29 71.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.484 0.659 . . . . 0.0 110.02 176.245 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -76.21 -40.86 51.16 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.873 -178.423 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.81 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.4 pp -64.95 -32.35 74.02 Favored 'General case' 0 CA--C 1.513 -0.451 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.835 178.776 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 430' ' ' TRP . . . . . 0.53 ' N ' HD12 ' A' ' 429' ' ' LEU . 1.5 t90 -78.77 -27.77 44.67 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 120.376 -0.529 . . . . 0.0 110.406 179.624 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.454 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 44.1 tt0 -62.58 -57.0 12.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.378 179.272 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.657 HG11 HD11 ' A' ' 408' ' ' LEU . 33.4 m -68.39 -32.14 54.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.039 179.883 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -65.89 -49.94 66.27 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.241 -179.778 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 434' ' ' ARG . . . . . 0.454 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 14.8 ptm180 -63.14 -33.86 76.37 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.793 -176.655 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 435' ' ' ILE . . . . . . . . . . . . . 66.2 mt -66.8 -55.29 18.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.919 179.307 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 436' ' ' LEU . . . . . 0.734 HD22 HG13 ' A' ' 402' ' ' ILE . 4.5 pp -63.61 -32.62 74.15 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.415 -178.502 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 437' ' ' THR . . . . . 0.812 ' HA ' ' HE3' ' A' ' 440' ' ' LYS . 90.0 m -66.91 -55.71 13.46 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.712 178.07 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.72 -41.99 98.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.336 -175.795 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.598 HD23 ' HB ' ' A' ' 398' ' ' ILE . 45.7 tp -59.9 -59.4 5.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.323 -177.606 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 440' ' ' LYS . . . . . 0.812 ' HE3' ' HA ' ' A' ' 437' ' ' THR . 18.9 pttp -61.93 -32.15 72.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.687 0.28 . . . . 0.0 111.508 -174.488 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 441' ' ' ARG . . . . . 0.967 ' HD2' ' HG3' ' A' ' 445' ' ' GLU . 29.5 mmm180 -75.32 -47.93 25.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.983 -178.137 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -74.57 -24.16 58.87 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.516 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.572 HD22 HE21 ' A' ' 395' ' ' GLN . 8.5 tt -88.79 -51.15 5.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.715 0.293 . . . . 0.0 111.133 -176.954 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 444' ' ' ARG . . . . . 0.475 ' HD3' ' OE1' ' A' ' 395' ' ' GLN . 49.7 ttp180 -107.71 -30.38 8.6 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -171.089 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 445' ' ' GLU . . . . . 0.967 ' HG3' ' HD2' ' A' ' 441' ' ' ARG . 5.9 mm-40 -91.78 9.91 30.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.216 0.532 . . . . 0.0 110.665 -172.76 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.413 -0.803 . . . . 0.0 110.412 -179.888 . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.84 0 N-CA-C 111.842 -0.503 . . . . 0.0 111.842 . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 9.9 p -81.66 89.89 6.28 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 175.657 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -81.45 -81.67 0.13 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.17 -175.459 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 394' ' ' THR . . . . . 0.409 ' O ' HD21 ' A' ' 443' ' ' LEU . 4.6 p -90.46 73.45 6.92 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 120.816 0.341 . . . . 0.0 111.177 -178.835 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 395' ' ' GLN . . . . . 0.593 ' HA ' HD21 ' A' ' 443' ' ' LEU . 24.9 tp60 -62.42 -36.57 82.79 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 121.343 0.592 . . . . 0.0 109.643 178.279 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 396' ' ' ALA . . . . . 0.508 ' HA ' ' HB2' ' A' ' 399' ' ' LYS . . . -66.75 -9.8 40.49 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.887 176.373 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.08 -64.73 3.44 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 178.679 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.554 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -66.49 -26.09 36.76 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.312 . . . . . . . . 3 3 . 1 . 048 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.508 ' HB2' ' HA ' ' A' ' 396' ' ' ALA . 62.3 mmtt -62.4 -52.15 64.71 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.991 179.152 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -68.64 -44.82 73.36 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.764 -0.774 . . . . 0.0 109.647 176.22 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -63.75 -34.34 77.66 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.912 -176.699 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 402' ' ' ILE . . . . . 0.489 HG22 ' O ' ' A' ' 399' ' ' LYS . 11.2 tp -69.07 -39.68 79.84 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.307 0 CA-C-N 118.276 0.489 . . . . 0.0 110.192 179.279 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.588 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 83.3 mtp180 -59.98 -41.09 91.27 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 120.982 0.42 . . . . 0.0 109.928 176.255 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 404' ' ' ARG . . . . . 0.416 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 54.7 mtp180 -78.88 -38.93 36.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.575 -176.726 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 405' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -73.89 -40.71 63.0 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 122.464 -0.148 . . . . 0.0 110.979 -179.677 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -66.83 -29.2 69.07 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.336 -0.546 . . . . 0.0 109.678 174.449 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.588 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.8 t80 -62.96 -55.47 25.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.527 176.504 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.52 HD12 ' N ' ' A' ' 409' ' ' LEU . 3.1 pp -70.4 -31.64 68.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.258 179.272 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 409' ' ' LEU . . . . . 0.52 ' N ' HD12 ' A' ' 408' ' ' LEU . 17.4 tp -58.88 -49.93 75.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.199 0.523 . . . . 0.0 109.631 175.291 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -61.87 -39.81 93.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.021 177.331 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 52.5 m -64.7 -55.2 21.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.545 -179.471 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.798 HD11 ' HB3' ' A' ' 429' ' ' LEU . 4.4 pp -65.87 -22.9 66.56 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.677 0.275 . . . . 0.0 111.089 -178.326 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 413' ' ' HIS . . . . . 0.418 ' N ' HD12 ' A' ' 412' ' ' LEU . 22.7 m170 -67.44 -34.96 78.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.049 0.452 . . . . 0.0 110.123 172.384 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 53.4 mtm180 -71.45 -26.74 62.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.42 176.373 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -80.05 4.81 15.92 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.891 0.377 . . . . 0.0 110.714 175.168 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 412' ' ' LEU . 75.7 mt -112.73 -3.39 14.25 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.527 176.847 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -122.18 148.35 45.05 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.195 -175.63 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 102.56 15.78 24.05 Favored Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.875 179.902 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 86.45 48.15 4.63 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.142 -178.573 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 42.9 mt -117.68 139.62 44.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.698 0.285 . . . . 0.0 110.481 -179.008 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -112.58 112.76 24.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.33 175.771 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 422' ' ' ASP . . . . . 0.6 ' CG ' ' HD3' ' A' ' 425' ' ' LYS . 9.9 t0 -155.88 115.02 3.53 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.683 179.214 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 80.0 mt -87.66 -17.57 31.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.742 -176.716 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 47.4 m -74.35 -38.94 63.08 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.72 -176.183 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 425' ' ' LYS . . . . . 0.6 ' HD3' ' CG ' ' A' ' 422' ' ' ASP . 11.9 mptt -60.31 -33.33 72.22 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 120.722 0.296 . . . . 0.0 110.962 177.907 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 426' ' ' GLU . . . . . 0.661 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 40.4 mt-10 -71.64 -48.42 47.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.712 -177.052 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -66.19 -28.98 69.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.151 0.501 . . . . 0.0 110.405 175.915 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -75.12 -40.75 59.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.857 -177.41 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.798 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.3 pp -63.07 -37.96 89.28 Favored 'General case' 0 CA--C 1.513 -0.479 0 C-N-CA 120.643 -0.423 . . . . 0.0 109.888 178.993 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 4.3 t90 -73.71 -26.84 60.89 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.52 179.724 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.601 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 38.9 tt0 -65.29 -52.53 53.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.047 177.798 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 18.6 m -69.85 -33.7 57.07 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.422 179.127 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -62.36 -45.64 92.28 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 120.845 0.355 . . . . 0.0 110.258 179.348 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 434' ' ' ARG . . . . . 0.601 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 37.6 ptt180 -68.14 -28.09 67.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.066 -179.02 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 435' ' ' ILE . . . . . 0.514 HG13 ' O ' ' A' ' 431' ' ' GLU . 82.8 mt -72.91 -58.8 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 121.112 -0.235 . . . . 0.0 110.871 177.33 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 436' ' ' LEU . . . . . 0.44 HD12 ' N ' ' A' ' 437' ' ' THR . 4.1 pp -58.15 -35.43 71.53 Favored 'General case' 0 C--N 1.333 -0.135 0 O-C-N 123.073 0.233 . . . . 0.0 110.818 -177.604 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 437' ' ' THR . . . . . 0.44 ' N ' HD12 ' A' ' 436' ' ' LEU . 93.2 m -67.43 -58.67 4.33 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.884 176.997 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.22 -40.93 95.84 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.006 -175.03 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 53.0 tp -59.64 -58.61 7.82 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.312 -177.4 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 440' ' ' LYS . . . . . 0.681 ' O ' ' HG2' ' A' ' 444' ' ' ARG . 11.5 pttp -61.14 -28.53 69.18 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 121.029 0.442 . . . . 0.0 110.83 -175.522 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 441' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 437' ' ' THR . 40.3 mmt180 -68.0 -58.38 4.61 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.888 178.284 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 6.6 ptmm? -78.22 8.94 4.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 111.067 -179.724 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.593 HD21 ' HA ' ' A' ' 395' ' ' GLN . 50.0 tp -103.07 -62.69 1.25 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.059 176.262 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 444' ' ' ARG . . . . . 0.681 ' HG2' ' O ' ' A' ' 440' ' ' LYS . 6.7 ptm180 -81.57 -34.45 31.06 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -172.373 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -121.9 32.88 5.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.306 0.574 . . . . 0.0 111.071 -169.893 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.816 0 CA-C-O 118.335 -0.84 . . . . 0.0 109.879 175.375 . . . . . . . . 0 0 . 1 . 049 nuclear build full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.721 0 N-CA-C 112.057 -0.417 . . . . 0.0 112.057 . . . . . . . . . 0 0 . 1 . 049 nuclear build full ' A' A ' 392' ' ' SER . . . . . 0.774 ' HA ' ' HG ' ' A' ' 443' ' ' LEU . 66.1 m -92.22 107.24 19.07 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.862 0.363 . . . . 0.0 110.912 -179.664 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 393' ' ' GLU . . . . . 0.677 ' H ' HD11 ' A' ' 443' ' ' LEU . 8.5 tt0 -80.59 -73.55 0.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.618 177.949 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 1.5 p -110.38 86.94 2.4 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.395 0.616 . . . . 0.0 111.775 -177.64 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 395' ' ' GLN . . . . . 0.617 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 22.5 mm-40 -71.77 -36.36 70.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.7 175.233 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -66.67 -22.91 66.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.225 175.887 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -59.88 -52.94 49.9 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.056 -179.84 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.605 ' HB ' HD23 ' A' ' 439' ' ' LEU . 0.0 OUTLIER -70.19 -37.45 71.67 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.63 0 C-N-CA 120.719 -0.393 . . . . 0.0 109.97 178.631 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.617 ' HG2' ' O ' ' A' ' 395' ' ' GLN . 13.8 mmmm -59.99 -45.8 91.53 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.692 -175.696 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -68.69 -45.55 71.35 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.116 0.484 . . . . 0.0 110.875 179.297 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -70.37 -35.27 73.43 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.984 -177.513 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 402' ' ' ILE . . . . . 0.768 HG13 HD22 ' A' ' 436' ' ' LEU . 15.2 tt -66.92 -30.86 51.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -179.712 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.608 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 72.8 mtp180 -59.09 -50.35 74.41 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 172.255 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 404' ' ' ARG . . . . . 0.485 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 41.2 mtm180 -64.31 -49.9 69.94 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.688 178.788 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 405' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -64.0 -46.67 83.51 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.205 -174.401 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -73.69 -20.29 60.58 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.068 -0.653 . . . . 0.0 110.865 179.886 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.608 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.8 t80 -71.31 -49.75 39.53 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.599 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.488 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.7 pp -73.13 -28.36 62.2 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.639 177.513 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 409' ' ' LEU . . . . . 0.462 ' N ' HD12 ' A' ' 408' ' ' LEU . 9.4 tt -60.16 -45.67 92.31 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 173.494 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 410' ' ' ASN . . . . . 0.405 ' HB3' ' O ' ' A' ' 407' ' ' PHE . 2.9 t-20 -54.59 -46.02 73.69 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.643 175.488 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 411' ' ' SER . . . . . 0.488 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 6.8 t -63.35 -57.54 10.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.034 -179.252 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.572 HD11 ' HB3' ' A' ' 429' ' ' LEU . 4.4 pp -67.47 -20.86 65.53 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 120.761 0.315 . . . . 0.0 111.224 -178.261 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -64.61 -46.86 80.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.83 0.348 . . . . 0.0 110.663 176.238 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 414' ' ' ARG . . . . . 0.488 ' HG2' ' O ' ' A' ' 411' ' ' SER . 6.7 ptm180 -78.62 -13.17 59.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.865 0.364 . . . . 0.0 110.612 -177.405 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.67 -11.74 60.53 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.68 172.806 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.559 HD21 ' HB2' ' A' ' 425' ' ' LYS . 81.3 mt -86.37 -1.22 57.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.802 176.401 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -127.95 147.74 50.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.977 0.418 . . . . 0.0 111.264 -175.05 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 111.54 29.49 3.38 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.652 -177.33 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 78.91 21.27 68.69 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.693 -178.456 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 43.5 mm -96.85 119.68 45.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.852 0.358 . . . . 0.0 110.945 -177.899 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 421' ' ' LYS . . . . . 0.47 ' HE3' HD21 ' A' ' 423' ' ' LEU . 51.3 tptt -98.54 81.43 2.71 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.183 0.516 . . . . 0.0 109.61 175.201 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 422' ' ' ASP . . . . . 0.676 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 12.5 t70 -122.59 133.01 54.56 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.925 -179.295 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 423' ' ' LEU . . . . . 0.47 HD21 ' HE3' ' A' ' 421' ' ' LYS . 3.5 mm? -104.73 -11.95 16.59 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.141 0.496 . . . . 0.0 110.58 -179.669 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 424' ' ' SER . . . . . 0.463 ' O ' ' HG2' ' A' ' 428' ' ' ARG . 64.7 m -72.99 -42.27 63.47 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.899 -176.769 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 425' ' ' LYS . . . . . 0.676 ' HG2' ' OD1' ' A' ' 422' ' ' ASP . 48.0 mmtt -57.97 -37.54 74.4 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.399 0.618 . . . . 0.0 109.758 178.748 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 426' ' ' GLU . . . . . 0.564 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 9.0 tp10 -62.79 -50.67 70.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.581 -1.191 . . . . 0.0 109.973 -177.387 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -73.31 -18.03 61.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.069 178.872 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 428' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' A' ' 424' ' ' SER . 33.3 mmt180 -79.52 -43.37 23.23 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.157 178.754 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.572 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.5 pp -63.99 -35.94 82.33 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 177.748 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -76.27 -26.98 56.47 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.232 179.124 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.511 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 42.4 tt0 -63.29 -57.52 10.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.822 178.169 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.429 HG11 HD11 ' A' ' 408' ' ' LEU . 24.8 m -68.54 -31.53 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.238 -179.933 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -63.26 -44.41 95.22 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.967 0.413 . . . . 0.0 110.286 -179.842 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 434' ' ' ARG . . . . . 0.511 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 12.3 ptt180 -72.46 -28.51 62.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.925 -178.352 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 435' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 431' ' ' GLU . 73.1 mt -68.17 -54.77 19.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 116.717 -0.219 . . . . 0.0 111.009 177.936 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 436' ' ' LEU . . . . . 0.768 HD22 HG13 ' A' ' 402' ' ' ILE . 4.3 pp -63.05 -35.04 78.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.802 179.378 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 437' ' ' THR . . . . . 0.594 ' HA ' ' HE3' ' A' ' 440' ' ' LYS . 97.3 m -71.55 -45.45 62.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.861 -0.154 . . . . 0.0 111.383 -179.945 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 438' ' ' ALA . . . . . 0.558 ' O ' ' HB2' ' A' ' 442' ' ' LYS . . . -55.42 -48.71 73.99 Favored 'General case' 0 CA--C 1.516 -0.341 0 O-C-N 123.359 0.412 . . . . 0.0 110.886 -178.64 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.605 HD23 ' HB ' ' A' ' 398' ' ' ILE . 34.5 tp -64.1 -57.87 8.33 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.063 -177.368 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 440' ' ' LYS . . . . . 0.594 ' HE3' ' HA ' ' A' ' 437' ' ' THR . 22.9 pttp -64.35 -32.13 73.61 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -172.321 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 441' ' ' ARG . . . . . 0.421 ' HD3' ' HA ' ' A' ' 441' ' ' ARG . 37.3 mmt180 -82.96 -44.78 14.91 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.365 -178.807 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 442' ' ' LYS . . . . . 0.558 ' HB2' ' O ' ' A' ' 438' ' ' ALA . 14.1 mptt -69.58 -18.41 63.63 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.072 178.093 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.774 ' HG ' ' HA ' ' A' ' 392' ' ' SER . 17.1 tp -94.67 -26.68 16.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.375 -178.849 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -102.97 -40.82 6.34 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -174.768 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -73.83 -21.16 60.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.145 0.498 . . . . 0.0 110.406 -176.771 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.877 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.221 179.409 . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.536 0 N-CA-C 111.731 -0.548 . . . . 0.0 111.731 . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 3.6 t -124.92 132.2 53.32 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -177.465 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 61.16 14.64 5.66 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 174.626 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 15.0 m 70.73 115.53 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 121.043 0.449 . . . . 0.0 111.921 177.693 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -66.99 -34.06 76.93 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 175.641 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 396' ' ' ALA . . . . . 0.46 ' HA ' ' HB2' ' A' ' 399' ' ' LYS . . . -66.09 -10.96 45.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.153 174.676 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.44 -55.03 31.35 Favored Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.596 176.786 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 398' ' ' ILE . . . . . 0.503 ' CD1' ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -70.45 -32.93 51.74 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.609 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 176.861 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.46 ' HB2' ' HA ' ' A' ' 396' ' ' ALA . 71.4 mmtt -55.38 -52.43 63.55 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -178.732 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -72.91 -38.49 66.88 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.73 0.3 . . . . 0.0 111.176 179.444 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.46 -47.17 85.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.367 178.313 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 402' ' ' ILE . . . . . 0.432 HG13 ' HB2' ' A' ' 436' ' ' LEU . 13.2 tt -65.83 -30.47 50.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.502 -177.209 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.647 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 89.5 mtt180 -57.55 -49.86 74.97 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.176 173.091 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 404' ' ' ARG . . . . . 0.509 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 63.5 mtm180 -72.54 -43.0 64.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.114 -179.782 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 405' ' ' GLN . . . . . 0.471 ' O ' ' HB2' ' A' ' 409' ' ' LEU . 75.1 mt-30 -65.15 -42.7 93.53 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.975 -177.344 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -78.65 -20.01 51.28 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.07 -0.652 . . . . 0.0 110.729 177.884 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 407' ' ' PHE . . . . . 0.647 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 4.1 t80 -69.18 -51.56 36.83 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 175.249 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 404' ' ' ARG . 3.4 pp -70.63 -29.74 66.19 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.31 176.805 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 409' ' ' LEU . . . . . 0.59 ' O ' ' HB2' ' A' ' 413' ' ' HIS . 7.0 tt -61.04 -49.17 78.48 Favored 'General case' 0 C--O 1.224 -0.257 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 175.018 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.22 -41.54 84.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.735 174.804 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 38.2 m -61.38 -58.18 9.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.958 179.809 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 412' ' ' LEU . . . . . 0.752 HD11 ' HB3' ' A' ' 429' ' ' LEU . 4.6 pp -65.61 -26.1 67.68 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 121.0 0.429 . . . . 0.0 110.987 -179.212 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 413' ' ' HIS . . . . . 0.59 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 0.9 OUTLIER -66.48 -34.63 78.35 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 177.423 . . . . . . . . 3 3 . 1 . 050 nuclear build full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -76.67 -26.4 54.76 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.02 177.888 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 415' ' ' ASP . . . . . 0.419 ' OD2' ' HA ' ' A' ' 412' ' ' LEU . 16.2 m-20 -64.29 -18.06 64.23 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.669 175.78 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.662 HD21 ' HB2' ' A' ' 425' ' ' LYS . 49.2 mt -86.11 -16.34 38.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 178.057 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -90.11 149.14 22.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.332 -173.187 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 103.76 21.87 9.37 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 111.419 -0.672 . . . . 0.0 111.419 -178.219 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 69.83 34.33 71.7 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 121.226 -0.511 . . . . 0.0 111.832 -176.413 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 51.4 mm -95.2 122.83 47.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.631 0.253 . . . . 0.0 110.756 -176.447 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -89.18 93.1 9.45 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.074 0.464 . . . . 0.0 110.145 177.036 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 422' ' ' ASP . . . . . 0.573 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 10.0 t70 -130.82 130.65 43.92 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.495 -179.905 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 83.3 mt -109.4 -13.47 14.59 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.702 -178.941 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 424' ' ' SER . . . . . 0.608 ' O ' ' HG2' ' A' ' 428' ' ' ARG . 78.0 p -71.63 -39.76 70.18 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.326 179.643 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 425' ' ' LYS . . . . . 0.662 ' HB2' HD21 ' A' ' 416' ' ' LEU . 41.6 mmtm -71.12 -30.22 66.23 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 177.488 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 426' ' ' GLU . . . . . 0.487 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 4.9 mm-40 -62.88 -51.31 67.49 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.321 179.112 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -67.96 -23.76 65.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.263 178.887 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 428' ' ' ARG . . . . . 0.609 ' HB3' HD22 ' A' ' 412' ' ' LEU . 24.1 mmm180 -75.75 -48.05 23.39 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.111 -179.36 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 429' ' ' LEU . . . . . 0.752 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.2 pp -62.79 -31.68 72.7 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.511 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -78.18 -29.36 48.48 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.466 179.748 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.623 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 7.7 tp10 -69.1 -57.06 5.91 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 121.153 0.501 . . . . 0.0 109.825 -179.528 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.512 HG23 HD12 ' A' ' 409' ' ' LEU . 30.0 m -67.62 -25.89 34.04 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.959 179.796 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 433' ' ' GLN . . . . . 0.632 ' HB2' ' O ' ' A' ' 429' ' ' LEU . 50.3 tp60 -59.49 -50.59 73.33 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.756 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 434' ' ' ARG . . . . . 0.623 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 16.5 ptm180 -68.47 -32.67 72.83 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.375 -177.555 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 435' ' ' ILE . . . . . . . . . . . . . 78.6 mt -69.16 -57.17 9.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-N 116.603 -0.272 . . . . 0.0 111.119 -179.722 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 436' ' ' LEU . . . . . 0.496 ' O ' ' HG2' ' A' ' 440' ' ' LYS . 4.4 pp -61.44 -36.39 80.23 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-O 120.533 0.206 . . . . 0.0 111.006 -178.514 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 437' ' ' THR . . . . . 0.715 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 84.9 m -70.1 -49.21 53.11 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 121.111 -0.236 . . . . 0.0 110.991 179.338 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 438' ' ' ALA . . . . . 0.461 ' O ' ' HD3' ' A' ' 442' ' ' LYS . . . -62.95 -43.77 97.88 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.786 0.326 . . . . 0.0 110.518 -177.408 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.581 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 23.1 tp -60.17 -53.58 55.99 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.632 -175.531 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 440' ' ' LYS . . . . . 0.715 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 54.5 pttt -63.68 -35.44 80.57 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.428 -178.196 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -74.25 -41.5 61.19 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.524 -176.521 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 442' ' ' LYS . . . . . 0.461 ' HD3' ' O ' ' A' ' 438' ' ' ALA . 4.9 mptp? -74.74 -13.54 60.61 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.928 178.609 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 46.0 mt -96.99 -14.12 21.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.467 176.535 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -113.77 -54.11 2.63 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -178.313 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -69.89 -26.17 64.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.815 0.34 . . . . 0.0 110.696 -174.61 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.373 -0.822 . . . . 0.0 110.685 -177.053 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . 0.583 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 0.1 OUTLIER . . . . . 0 CA--C 1.522 -0.111 0 CA-C-O 121.179 0.514 . . . . 0.0 109.753 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -69.16 -18.21 63.91 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.79 174.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.62 -52.88 42.46 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.819 176.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.422 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -67.63 -29.26 44.7 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 177.569 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . 0.636 ' O ' ' HG3' ' A' ' 403' ' ' ARG . 32.4 mmtp -60.21 -50.81 72.21 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.842 178.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -66.84 -44.63 80.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.095 0.474 . . . . 0.0 110.41 177.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -58.13 -50.33 73.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.54 178.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 402' ' ' ILE . . . . . 0.498 ' HA ' ' HB2' ' A' ' 405' ' ' GLN . 12.1 tt -64.97 -26.09 39.23 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.479 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.623 -174.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.636 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 82.5 mtp180 -63.13 -47.96 80.53 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 173.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . 0.436 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 44.4 mtm180 -69.52 -44.87 70.15 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.099 0.476 . . . . 0.0 110.318 178.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 405' ' ' GLN . . . . . 0.498 ' HB2' ' HA ' ' A' ' 402' ' ' ILE . 74.4 mt-30 -60.87 -55.28 34.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.429 -0.805 . . . . 0.0 112.024 -179.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -61.95 -29.85 70.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.811 0.339 . . . . 0.0 110.849 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.53 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.9 t80 -60.03 -56.72 18.17 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.169 0.509 . . . . 0.0 109.733 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . 0.624 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.3 pp -74.01 -29.78 62.12 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.185 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 409' ' ' LEU . . . . . 0.477 ' N ' HD12 ' A' ' 408' ' ' LEU . 5.6 tt -62.07 -50.22 72.85 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 -179.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -61.56 -40.98 96.67 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.999 0.428 . . . . 0.0 110.153 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 28.4 t -58.99 -62.31 1.98 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.943 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.645 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 4.2 pp -65.87 -22.69 66.54 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 120.713 0.292 . . . . 0.0 111.067 -177.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . 0.408 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 18.2 t-160 -65.37 -34.11 77.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.108 0.48 . . . . 0.0 110.214 175.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -80.14 -22.05 42.48 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.977 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -65.18 -13.24 57.74 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.888 0.375 . . . . 0.0 111.348 174.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.405 HD12 ' HD2' ' A' ' 413' ' ' HIS . 72.8 mt . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.955 177.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . 0.593 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 10.1 t70 . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 83.7 mt -100.22 -13.38 18.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.202 0.525 . . . . 0.0 110.64 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 9.4 t -73.91 -47.81 35.24 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.0 -172.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . 0.645 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 12.0 mptt -62.86 -34.52 77.54 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.31 -177.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 426' ' ' GLU . . . . . 0.563 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 28.9 tt0 -74.61 -43.68 54.32 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.883 0.373 . . . . 0.0 110.398 -174.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -62.02 -31.61 72.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.479 0.657 . . . . 0.0 110.113 173.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 428' ' ' ARG . . . . . 0.462 ' HD2' HD22 ' A' ' 412' ' ' LEU . 26.3 ttm180 -75.02 -44.2 49.37 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.755 -177.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 3.5 pp -62.49 -30.95 71.64 Favored 'General case' 0 CA--C 1.513 -0.447 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.05 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -73.92 -32.68 63.64 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.308 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.469 ' O ' HG13 ' A' ' 435' ' ' ILE . 9.7 tp10 -63.59 -53.16 55.99 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 174.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 428' ' ' ARG . 61.5 t -57.68 -45.27 86.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.603 177.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . 0.405 ' HB2' HE21 ' A' ' 433' ' ' GLN . 6.2 tp-100 -56.97 -47.71 80.1 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.559 -178.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 434' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -75.73 -26.3 57.35 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.959 -173.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 435' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 431' ' ' GLU . 82.4 mt -71.02 -55.71 13.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 C-N-CA 121.121 -0.232 . . . . 0.0 110.991 177.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . 0.443 HD12 ' N ' ' A' ' 437' ' ' THR . 4.3 pp -59.18 -39.41 82.46 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 120.793 0.33 . . . . 0.0 110.582 -178.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . 0.443 ' N ' HD12 ' A' ' 436' ' ' LEU . 73.0 m -66.19 -56.99 8.6 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.745 179.009 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.97 -40.25 92.69 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -175.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 439' ' ' LEU . . . . . 0.479 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 38.2 tp -61.07 -55.7 29.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.277 -177.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 440' ' ' LYS . . . . . 0.422 ' HB3' HG13 ' A' ' 398' ' ' ILE . 18.5 pttp -65.72 -28.5 69.1 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.968 0.413 . . . . 0.0 111.095 -175.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -74.39 -46.57 39.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.455 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -65.75 -28.68 69.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.578 0.228 . . . . 0.0 111.508 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 64.0 mt . . . . . 0 C--N 1.325 -0.476 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -175.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 . . . . . 0 N--CA 1.448 -0.56 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -70.79 -29.41 65.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.624 173.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -58.9 -56.05 27.47 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 114.932 -1.031 . . . . 0.0 112.008 178.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.614 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -70.55 -32.9 51.29 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.66 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -179.822 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . 0.857 ' HA ' ' HE3' ' A' ' 399' ' ' LYS . 0.3 OUTLIER -53.54 -59.17 4.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.885 0.374 . . . . 0.0 111.258 -178.122 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -64.73 -49.36 71.12 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-O 121.158 0.504 . . . . 0.0 110.672 -178.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 401' ' ' GLU . . . . . 0.578 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 11.8 mm-40 -60.11 -42.71 95.31 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.898 -178.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 402' ' ' ILE . . . . . 0.614 HD12 HD11 ' A' ' 398' ' ' ILE . 12.1 tt -65.16 -33.23 62.29 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.329 0 CA-C-N 117.866 0.303 . . . . 0.0 110.932 -176.29 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.534 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 52.0 mtp180 -59.24 -44.0 92.36 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 175.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . 0.431 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 27.9 mtm180 -75.23 -40.28 59.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.178 179.177 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 405' ' ' GLN . . . . . 0.578 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 46.3 mt-30 -62.61 -53.28 56.93 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.522 178.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -60.2 -32.52 71.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.96 0.41 . . . . 0.0 110.25 177.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.534 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.5 t80 -60.61 -53.86 52.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.123 178.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . 0.478 HD12 ' N ' ' A' ' 409' ' ' LEU . 2.8 pp -75.4 -28.22 59.36 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 121.054 -0.258 . . . . 0.0 111.53 -179.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 409' ' ' LEU . . . . . 0.478 ' N ' HD12 ' A' ' 408' ' ' LEU . 6.3 tt -61.49 -46.49 89.79 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 175.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -59.53 -39.13 82.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.187 177.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 16.8 t -65.87 -58.43 5.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.203 -179.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.634 ' CD1' ' HB3' ' A' ' 429' ' ' LEU . 4.1 pp -66.17 -21.96 66.34 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 121.829 -0.544 . . . . 0.0 110.743 -179.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 15.1 t-160 -66.55 -39.37 88.52 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.895 174.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -80.07 -10.09 59.74 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.76 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -71.6 -18.73 62.21 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.931 0.396 . . . . 0.0 110.394 171.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.606 HD21 ' HB2' ' A' ' 425' ' ' LYS . 84.1 mt . . . . . 0 N--CA 1.466 0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.936 -178.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . 0.535 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 12.3 t70 . . . . . 0 CA--C 1.52 -0.181 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.6 mp -108.64 -8.23 15.49 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.409 0.623 . . . . 0.0 109.532 177.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 35.1 t -67.57 -49.62 62.35 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.64 -176.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . 0.606 ' HB2' HD21 ' A' ' 416' ' ' LEU . 33.4 mmtm -65.1 -30.29 71.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.112 -177.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 426' ' ' GLU . . . . . 0.553 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 10.7 tp10 -64.27 -53.18 53.01 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.988 -176.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -70.01 -27.38 64.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.213 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 -76.95 -43.22 36.11 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.901 -176.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.634 ' HB3' ' CD1' ' A' ' 412' ' ' LEU . 4.0 pp -60.99 -38.7 86.93 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 177.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -71.43 -28.47 64.0 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 120.531 -0.468 . . . . 0.0 109.806 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.629 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 41.4 tt0 -73.45 -50.45 21.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.66 177.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.437 HG12 ' HA ' ' A' ' 429' ' ' LEU . 10.2 p -65.06 -32.28 57.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 178.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -65.66 -48.61 71.54 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.046 177.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 434' ' ' ARG . . . . . 0.629 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 24.5 ptt180 -63.22 -31.83 73.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.768 -176.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 435' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 431' ' ' GLU . 82.1 mt -69.93 -55.29 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.731 -0.213 . . . . 0.0 110.82 179.247 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . 0.488 ' O ' ' HG2' ' A' ' 440' ' ' LYS . 4.6 pp -63.17 -31.42 72.56 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 121.13 -0.228 . . . . 0.0 110.867 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . 0.64 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 85.5 m -70.82 -53.36 15.61 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.18 177.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.5 -32.27 71.29 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.025 0.44 . . . . 0.0 110.596 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 439' ' ' LEU . . . . . 0.5 ' O ' HD23 ' A' ' 443' ' ' LEU . 30.2 tp -68.77 -56.58 7.6 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.54 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 440' ' ' LYS . . . . . 0.64 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 58.1 pttt -62.55 -44.25 96.8 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.676 -0.41 . . . . 0.0 111.669 -177.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 441' ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' ' 437' ' ' THR . 16.8 mmm180 -66.78 -36.46 82.47 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.518 -174.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -94.55 -2.49 51.48 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 121.078 -0.249 . . . . 0.0 111.574 -177.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . 0.5 HD23 ' O ' ' A' ' 439' ' ' LEU . 4.5 mm? . . . . . 0 C--N 1.327 -0.393 0 CA-C-O 121.014 0.435 . . . . 0.0 110.155 175.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . 0.656 ' HA ' ' HB2' ' A' ' 399' ' ' LYS . . . -65.91 -12.62 56.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.261 174.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -59.85 -55.22 31.62 Favored Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 177.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.446 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -73.49 -32.79 37.73 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.65 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 176.757 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . 0.656 ' HB2' ' HA ' ' A' ' 396' ' ' ALA . 1.5 mptm? -60.52 -48.68 80.69 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.678 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -69.63 -44.61 70.27 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-O 120.923 0.392 . . . . 0.0 110.36 178.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 401' ' ' GLU . . . . . 0.486 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 7.4 mm-40 -58.31 -55.27 37.14 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.026 177.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 402' ' ' ILE . . . . . 0.414 ' HA ' ' HB2' ' A' ' 405' ' ' GLN . 11.4 tt -59.44 -29.02 41.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 O-C-N 123.172 0.295 . . . . 0.0 110.98 -175.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.542 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 88.2 mtt180 -59.73 -51.47 69.63 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.426 -0.51 . . . . 0.0 109.986 173.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . 0.529 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 54.3 mtm180 -75.0 -38.88 61.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.811 -178.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 405' ' ' GLN . . . . . 0.486 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 92.3 mt-30 -63.15 -53.72 48.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.209 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -61.64 -30.17 70.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.889 0.376 . . . . 0.0 110.19 177.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.542 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.1 t80 -62.9 -55.26 27.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.042 179.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . 0.575 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.8 pp -73.5 -30.29 63.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.975 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 409' ' ' LEU . . . . . 0.534 ' N ' HD12 ' A' ' 408' ' ' LEU . 8.2 tt -61.17 -48.27 82.33 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 175.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -59.19 -38.55 80.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.479 176.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . 0.606 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 41.0 m -63.52 -60.57 3.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.028 -179.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.618 ' CD1' ' HB3' ' A' ' 429' ' ' LEU . 3.6 pp -70.08 -14.64 62.76 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.315 -0.554 . . . . 0.0 111.38 -179.06 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . 0.557 ' HD2' HD12 ' A' ' 416' ' ' LEU . 17.2 t-160 -73.82 -40.39 63.37 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 174.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 414' ' ' ARG . . . . . 0.606 ' HG2' ' O ' ' A' ' 411' ' ' SER . 15.6 ptm180 -77.81 -13.1 60.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.151 0.501 . . . . 0.0 109.981 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.74 -20.71 65.97 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.568 170.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.557 HD12 ' HD2' ' A' ' 413' ' ' HIS . 38.5 mt . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.006 -176.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . 0.85 ' HB3' ' HD2' ' A' ' 425' ' ' LYS . 3.4 m-20 . . . . . 0 N--CA 1.449 -0.493 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -59.16 -32.02 69.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.789 -175.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 11.5 p -64.48 -33.67 76.42 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.209 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . 0.85 ' HD2' ' HB3' ' A' ' 422' ' ' ASP . 91.1 mttt -69.99 -29.67 66.81 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.816 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 426' ' ' GLU . . . . . 0.503 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 46.1 mt-10 -67.56 -43.54 80.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.546 0.689 . . . . 0.0 109.609 176.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -65.57 -28.6 69.26 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.105 176.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 428' ' ' ARG . . . . . 0.512 ' O ' HG23 ' A' ' 432' ' ' VAL . 57.7 mtt180 -72.6 -52.19 16.5 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.707 -179.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.618 ' HB3' ' CD1' ' A' ' 412' ' ' LEU . 4.5 pp -59.33 -30.86 68.67 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.429 -179.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 430' ' ' TRP . . . . . 0.405 ' N ' HD12 ' A' ' 429' ' ' LEU . 2.2 t90 -71.61 -37.42 70.94 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.444 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.589 ' HA ' ' HG2' ' A' ' 434' ' ' ARG . 30.1 tt0 -70.23 -42.84 71.73 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 120.571 -0.451 . . . . 0.0 109.79 176.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 428' ' ' ARG . 60.2 t -56.71 -44.16 80.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.994 0.426 . . . . 0.0 109.998 176.166 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -64.34 -43.32 94.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.418 -178.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 434' ' ' ARG . . . . . 0.589 ' HG2' ' HA ' ' A' ' 431' ' ' GLU . 37.6 ptt180 -71.54 -28.34 63.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.647 -176.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 435' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 431' ' ' GLU . 83.2 mt -70.5 -56.05 12.31 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.129 0 CA-C-N 116.795 -0.184 . . . . 0.0 110.522 177.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . 0.496 ' O ' ' HG2' ' A' ' 440' ' ' LYS . 4.4 pp -58.62 -33.13 69.7 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.661 0.267 . . . . 0.0 110.74 -177.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . 0.588 ' O ' ' HG2' ' A' ' 441' ' ' ARG . 84.4 m -68.09 -57.1 6.64 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.672 177.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -63.4 -35.06 79.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.532 -176.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 439' ' ' LEU . . . . . 0.422 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 33.4 tp -64.09 -53.76 44.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.814 -176.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 440' ' ' LYS . . . . . 0.496 ' HG2' ' O ' ' A' ' 436' ' ' LEU . 52.6 pttt -64.54 -26.56 68.47 Favored 'General case' 0 CA--C 1.521 -0.171 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.695 -178.151 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 441' ' ' ARG . . . . . 0.588 ' HG2' ' O ' ' A' ' 437' ' ' THR . 38.7 mmt180 -68.0 -49.73 59.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.568 177.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -73.05 -11.99 60.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.164 -0.335 . . . . 0.0 111.67 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 84.9 mt . . . . . 0 C--N 1.326 -0.424 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . 0.764 ' HA ' HD21 ' A' ' 443' ' ' LEU . 9.6 mm100 . . . . . 0 C--O 1.234 0.269 0 CA-C-O 121.088 0.471 . . . . 0.0 110.399 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . 0.428 ' HA ' ' HB3' ' A' ' 399' ' ' LYS . . . -66.73 -8.58 29.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.898 175.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.86 -63.17 5.01 Favored Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.679 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -74.63 -30.66 25.44 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.674 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 177.296 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . 0.88 ' HA ' ' HE2' ' A' ' 399' ' ' LYS . 0.1 OUTLIER -58.26 -56.73 18.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.928 0.394 . . . . 0.0 111.427 -176.421 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -77.68 -33.47 53.28 Favored 'General case' 0 N--CA 1.446 -0.646 0 O-C-N 122.074 -0.391 . . . . 0.0 111.122 -177.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 401' ' ' GLU . . . . . 0.501 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 19.3 mm-40 -72.92 -30.37 63.85 Favored 'General case' 0 C--O 1.222 -0.372 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.499 178.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 402' ' ' ILE . . . . . 0.679 HD12 HD11 ' A' ' 398' ' ' ILE . 10.2 tt -69.68 -30.42 44.85 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.275 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 176.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.627 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 82.9 mtp180 -56.58 -46.93 80.51 Favored 'General case' 0 C--N 1.334 -0.107 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 171.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . 0.462 ' HD2' ' OE2' ' A' ' 401' ' ' GLU . 90.5 mtt180 -65.36 -54.49 28.04 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.293 176.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 405' ' ' GLN . . . . . 0.58 ' O ' ' HB2' ' A' ' 409' ' ' LEU . 47.6 mt-30 -62.6 -35.22 78.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.045 -174.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . 0.505 ' HG3' HG12 ' A' ' 402' ' ' ILE . 47.2 mt-10 -80.38 -25.3 39.21 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.817 175.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.627 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 9.4 t80 -62.67 -55.04 30.54 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 178.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . 0.561 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.7 pp -72.25 -26.69 62.1 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.829 177.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 409' ' ' LEU . . . . . 0.58 ' HB2' ' O ' ' A' ' 405' ' ' GLN . 18.0 tp -59.39 -46.23 89.25 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.073 0.463 . . . . 0.0 109.806 176.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -62.89 -43.49 98.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.485 177.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 50.4 m -61.68 -55.5 29.75 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.799 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.796 HD11 ' HB3' ' A' ' 429' ' ' LEU . 4.4 pp -66.89 -19.75 65.79 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 120.814 0.34 . . . . 0.0 111.177 -177.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . 0.422 ' N ' HD12 ' A' ' 412' ' ' LEU . 10.2 m170 -69.67 -43.5 72.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.907 0.384 . . . . 0.0 110.172 172.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -71.66 -21.76 61.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.438 177.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.77 -41.54 97.83 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.128 0.49 . . . . 0.0 110.351 170.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 412' ' ' LEU . 86.9 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.433 -179.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 13.2 t0 . . . . . 0 N--CA 1.451 -0.386 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -69.82 -34.59 73.9 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.576 -176.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 22.6 t -65.38 -45.25 84.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.098 -178.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . 0.41 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 0.6 OUTLIER -65.99 -34.32 77.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.033 178.475 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 426' ' ' GLU . . . . . 0.663 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 35.7 tt0 -73.28 -43.98 60.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.939 0.4 . . . . 0.0 110.517 -176.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -65.87 -26.03 67.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.085 0.469 . . . . 0.0 109.873 175.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -73.99 -43.35 58.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.418 -178.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.796 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.5 pp -63.74 -36.59 84.38 Favored 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 120.414 -0.515 . . . . 0.0 110.739 -179.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 430' ' ' TRP . . . . . 0.524 ' N ' HD12 ' A' ' 429' ' ' LEU . 1.7 t90 -79.25 -25.71 42.54 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 121.056 0.455 . . . . 0.0 110.195 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.644 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 43.3 tt0 -66.14 -53.19 40.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.35 177.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.482 HG11 HD11 ' A' ' 408' ' ' LEU . 32.3 m -70.78 -32.91 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 CA-C-O 120.829 0.347 . . . . 0.0 110.822 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -64.82 -43.46 93.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.525 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 434' ' ' ARG . . . . . 0.644 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 32.4 ptt180 -67.65 -34.49 77.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.796 0.331 . . . . 0.0 110.537 -178.206 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 435' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 431' ' ' GLU . 82.6 mt -68.17 -53.6 28.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.01 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . 0.47 ' O ' ' HG2' ' A' ' 440' ' ' LYS . 3.8 pp -61.03 -38.41 86.04 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.261 -178.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 61.9 m -68.21 -47.05 68.91 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.231 -177.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -57.4 -48.15 79.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.97 0.414 . . . . 0.0 110.776 -178.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 47.6 tp -66.2 -50.29 64.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.711 -177.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 440' ' ' LYS . . . . . 0.516 ' HB3' HG13 ' A' ' 398' ' ' ILE . 21.3 ptmt -61.24 -32.3 72.1 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.699 0.285 . . . . 0.0 111.573 -174.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -68.96 -56.95 6.24 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.822 -178.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -68.05 -21.3 65.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.796 0.332 . . . . 0.0 111.534 -177.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . 0.764 HD21 ' HA ' ' A' ' 395' ' ' GLN . 61.1 tp . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.965 -176.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 18.1 tp60 . . . . . 0 C--O 1.236 0.373 0 CA-C-O 121.585 0.707 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -68.1 -10.5 54.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.466 176.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.38 -59.86 8.29 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 176.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.436 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -63.07 -31.53 52.94 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.711 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 176.628 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 399' ' ' LYS . 0.1 OUTLIER -60.62 -53.12 61.26 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.689 -179.824 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -65.49 -49.07 70.4 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.323 0.582 . . . . 0.0 109.953 176.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -57.74 -49.44 76.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.156 -178.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 402' ' ' ILE . . . . . 0.436 HD12 HD11 ' A' ' 398' ' ' ILE . 11.9 tt -62.82 -30.72 50.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.209 0.052 . . . . 0.0 111.092 -175.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.566 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 57.5 mtp180 -58.31 -47.61 83.13 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 174.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . 0.517 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 14.2 mmt180 -74.42 -41.27 61.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.583 -179.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 405' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -64.15 -48.34 76.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.933 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.49 -28.5 68.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.813 0.34 . . . . 0.0 110.332 177.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.566 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 1.9 t80 -66.06 -52.26 50.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.572 178.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . 0.667 HD11 HG11 ' A' ' 432' ' ' VAL . 2.5 pp -72.99 -32.5 65.2 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.857 179.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 409' ' ' LEU . . . . . 0.597 ' N ' HD12 ' A' ' 408' ' ' LEU . 6.9 tt -60.36 -49.0 79.33 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 175.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -54.19 -47.02 72.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.962 175.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 36.7 m -60.94 -58.42 8.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.259 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 4.3 pp -68.15 -20.44 64.89 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 120.884 0.373 . . . . 0.0 111.38 -179.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . 0.467 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 19.6 t-160 -66.9 -35.61 80.39 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 174.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -77.94 -23.62 48.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.821 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 415' ' ' ASP . . . . . 0.529 ' OD2' ' HA ' ' A' ' 412' ' ' LEU . 64.9 m-20 -65.58 -12.71 55.56 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.973 176.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.617 HD21 ' HB2' ' A' ' 425' ' ' LYS . 96.4 mt . . . . . 0 C--N 1.328 -0.356 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -176.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . 0.488 ' OD2' ' HG2' ' A' ' 425' ' ' LYS . 18.5 t70 . . . . . 0 N--CA 1.456 -0.13 0 CA-C-O 120.805 0.336 . . . . 0.0 110.547 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 91.9 mt -110.57 -11.96 14.4 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.071 0.463 . . . . 0.0 110.625 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 424' ' ' SER . . . . . 0.509 ' O ' ' HG2' ' A' ' 428' ' ' ARG . 41.1 t -70.39 -44.57 67.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.329 -177.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . 0.617 ' HB2' HD21 ' A' ' 416' ' ' LEU . 68.0 mmtt -59.05 -30.17 67.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.532 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 426' ' ' GLU . . . . . 0.6 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 45.7 tt0 -71.05 -46.95 61.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.007 -178.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -59.37 -32.1 69.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.199 0.523 . . . . 0.0 110.307 173.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 428' ' ' ARG . . . . . 0.509 ' HG2' ' O ' ' A' ' 424' ' ' SER . 20.7 mmm180 -73.27 -46.31 50.6 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.085 -177.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.3 pp -62.91 -35.6 80.6 Favored 'General case' 0 CA--C 1.518 -0.288 0 C-N-CA 121.071 -0.252 . . . . 0.0 110.354 -178.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -75.06 -28.44 60.38 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.614 -178.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.711 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 5.6 tp10 -63.54 -53.26 54.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.215 0.531 . . . . 0.0 109.946 178.217 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.667 HG11 HD11 ' A' ' 408' ' ' LEU . 2.5 m -70.06 -34.18 58.34 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.57 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -62.9 -47.05 84.99 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 120.712 0.291 . . . . 0.0 110.318 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 434' ' ' ARG . . . . . 0.711 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 5.1 ptm180 -63.58 -36.61 84.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.1 -178.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 435' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 431' ' ' GLU . 73.7 mt -71.08 -57.56 7.33 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.569 -179.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 437' ' ' THR . 4.5 pp -57.22 -34.99 69.12 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 117.642 0.201 . . . . 0.0 111.483 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . 0.733 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 93.3 m -68.57 -55.19 12.47 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.791 178.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -63.49 -32.59 74.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.677 0.275 . . . . 0.0 111.226 -177.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 439' ' ' LEU . . . . . 0.507 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 26.0 tp -63.21 -56.92 12.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.811 -177.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 440' ' ' LYS . . . . . 0.733 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 55.6 pttt -59.45 -35.6 74.36 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.11 0.481 . . . . 0.0 110.889 -179.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 441' ' ' ARG . . . . . 0.456 ' HG2' ' O ' ' A' ' 437' ' ' THR . 51.6 mmm-85 -61.74 -60.0 4.33 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.954 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -71.92 -9.58 58.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.042 -0.527 . . . . 0.0 112.219 -174.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 74.3 mt . . . . . 0 C--N 1.324 -0.501 0 CA-C-O 120.731 0.301 . . . . 0.0 110.62 174.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -66.53 -14.83 62.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.291 175.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.18 -60.75 6.77 Favored Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 178.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.563 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -71.09 -29.26 35.94 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.497 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 177.305 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . 0.572 ' O ' HG22 ' A' ' 402' ' ' ILE . 0.4 OUTLIER -54.26 -58.06 8.81 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.985 0.421 . . . . 0.0 111.465 179.31 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -71.23 -41.44 70.18 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.799 -177.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -64.19 -38.12 89.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.507 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 402' ' ' ILE . . . . . 0.572 HG22 ' O ' ' A' ' 399' ' ' LYS . 11.1 tt -68.34 -31.89 53.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -178.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.571 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 92.2 mtt180 -59.66 -45.04 93.23 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.284 -0.567 . . . . 0.0 110.098 173.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . 0.411 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 31.9 mmm180 -73.27 -42.11 62.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.013 -178.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 405' ' ' GLN . . . . . 0.469 ' NE2' ' HB3' ' A' ' 436' ' ' LEU . 29.2 mt-30 -70.82 -46.74 62.24 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.552 -177.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -64.21 -28.99 70.12 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.164 177.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.571 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.3 t80 -61.57 -55.35 31.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.999 176.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . 0.561 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.4 pp -73.62 -32.44 64.06 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.236 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 409' ' ' LEU . . . . . 0.49 ' O ' ' HB2' ' A' ' 413' ' ' HIS . 6.0 tt -60.81 -48.41 81.93 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -61.62 -42.38 98.8 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.076 177.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 52.8 m -61.42 -54.87 37.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 4.3 pp -69.22 -21.43 63.93 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.887 0.375 . . . . 0.0 111.142 -178.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . 0.49 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 13.6 t-160 -68.12 -27.32 66.36 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 173.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -79.08 -27.73 43.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.412 175.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 415' ' ' ASP . . . . . 0.413 ' OD2' ' HA ' ' A' ' 412' ' ' LEU . 10.2 m-20 -70.23 -2.78 14.3 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.73 178.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 86.1 mt . . . . . 0 C--N 1.326 -0.443 0 CA-C-O 120.848 0.356 . . . . 0.0 110.582 179.122 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 14.6 t70 . . . . . 0 CA--C 1.517 -0.303 0 CA-C-O 120.664 0.269 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 91.8 mt -115.86 -12.16 11.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.107 175.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 39.4 m -64.61 -44.73 89.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.051 -176.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . 0.536 ' CG ' ' HB2' ' A' ' 412' ' ' LEU . 2.9 mppt? -74.71 -20.51 59.82 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 426' ' ' GLU . . . . . 0.665 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 33.7 tt0 -76.26 -43.23 42.81 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.427 0.632 . . . . 0.0 109.496 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -65.27 -28.36 69.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.823 172.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 428' ' ' ARG . . . . . 0.49 ' O ' ' HB3' ' A' ' 431' ' ' GLU . 62.8 ttt180 -81.87 -35.24 29.49 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.724 -177.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.4 pp -62.51 -33.59 75.2 Favored 'General case' 0 CA--C 1.515 -0.367 0 C-N-CA 119.912 -0.715 . . . . 0.0 109.228 174.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 430' ' ' TRP . . . . . 0.414 ' N ' HD12 ' A' ' 429' ' ' LEU . 1.7 t90 -76.31 -26.75 56.14 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.859 176.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.565 ' O ' HG13 ' A' ' 435' ' ' ILE . 35.3 tt0 -62.25 -62.46 1.75 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.574 177.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 428' ' ' ARG . 2.7 m -67.5 -25.97 34.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.618 -178.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . 0.568 ' HB2' ' O ' ' A' ' 429' ' ' LEU . 8.1 tt0 -64.59 -47.6 78.04 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.26 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 434' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 19.7 ptt180 -72.43 -23.51 61.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.674 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 435' ' ' ILE . . . . . 0.565 HG13 ' O ' ' A' ' 431' ' ' GLU . 74.1 mt -69.8 -57.34 8.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.537 176.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . 0.51 HD22 HG13 ' A' ' 402' ' ' ILE . 4.5 pp -60.87 -33.56 73.26 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-O 120.723 0.296 . . . . 0.0 110.801 179.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . 0.788 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 81.6 m -70.6 -52.43 21.5 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.371 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -59.7 -37.25 78.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.002 0.429 . . . . 0.0 110.485 -178.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 439' ' ' LEU . . . . . 0.415 ' O ' ' HB2' ' A' ' 443' ' ' LEU . 48.8 tp -63.59 -59.21 4.92 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.813 178.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 440' ' ' LYS . . . . . 0.788 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 63.8 pttt -62.39 -28.04 69.5 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -174.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 441' ' ' ARG . . . . . 0.415 ' HG2' ' O ' ' A' ' 437' ' ' THR . 40.6 mmt180 -73.92 -50.63 19.22 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.14 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -76.88 -1.95 31.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.876 0.369 . . . . 0.0 111.145 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' 439' ' ' LEU . 1.2 tm? . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.773 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . 0.401 ' OE1' ' HB3' ' A' ' 443' ' ' LEU . 14.5 mm100 . . . . . 0 CA--C 1.52 -0.196 0 CA-C-O 120.983 0.421 . . . . 0.0 110.627 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -71.35 -16.67 62.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.234 173.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -66.34 -61.91 5.05 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.594 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.474 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -63.62 -34.01 65.14 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.39 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . 0.438 ' HA ' ' HD3' ' A' ' 399' ' ' LYS . 12.6 tppt? -55.64 -52.69 62.97 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 120.918 0.389 . . . . 0.0 111.004 177.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -66.88 -48.12 69.76 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.186 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 401' ' ' GLU . . . . . 0.447 ' HB3' HE21 ' A' ' 405' ' ' GLN . 52.5 mt-10 -63.68 -39.01 93.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.115 -176.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 402' ' ' ILE . . . . . 0.442 HG13 ' HB2' ' A' ' 436' ' ' LEU . 14.2 tt -70.05 -35.46 64.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 C-N-CA 121.355 -0.138 . . . . 0.0 110.85 -176.402 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.631 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 74.6 mtt180 -62.8 -41.03 99.11 Favored 'General case' 0 CA--C 1.517 -0.323 0 C-N-CA 120.63 -0.428 . . . . 0.0 109.896 175.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . 0.486 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 35.0 mmt180 -70.24 -49.17 52.7 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.558 178.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 405' ' ' GLN . . . . . 0.447 HE21 ' HB3' ' A' ' 401' ' ' GLU . 48.1 mt-30 -69.29 -42.51 75.39 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-N 116.132 -0.485 . . . . 0.0 112.217 -175.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -71.22 -26.28 62.86 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 119.858 -0.737 . . . . 0.0 110.437 178.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.631 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 1.1 t80 -63.74 -56.5 15.15 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 174.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . 0.556 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.6 pp -68.59 -32.16 71.86 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.963 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 409' ' ' LEU . . . . . 0.496 ' N ' HD12 ' A' ' 408' ' ' LEU . 7.3 tt -59.18 -50.77 72.77 Favored 'General case' 0 C--O 1.225 -0.214 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 175.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 410' ' ' ASN . . . . . 0.519 ' C ' HD22 ' A' ' 410' ' ' ASN . 0.2 OUTLIER -58.16 -48.2 81.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.86 177.34 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 28.0 m -55.07 -60.81 2.86 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.218 178.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.847 ' HB2' ' HG2' ' A' ' 425' ' ' LYS . 4.5 pp -67.01 -23.8 65.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.791 0.329 . . . . 0.0 111.171 -176.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . 0.42 ' N ' HD12 ' A' ' 412' ' ' LEU . 16.7 t-160 -63.0 -34.57 77.85 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.165 0.507 . . . . 0.0 109.978 174.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -78.34 -23.63 46.88 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.409 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -79.11 7.4 7.54 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.27 177.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.462 HD21 ' HB2' ' A' ' 425' ' ' LYS . 96.9 mt . . . . . 0 C--N 1.323 -0.552 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -178.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 14.4 t70 . . . . . 0 N--CA 1.455 -0.217 0 CA-C-O 121.034 0.445 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.6 mp -113.16 -7.91 13.59 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.453 0.644 . . . . 0.0 109.379 176.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 22.9 t -66.93 -48.54 68.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.5 -177.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . 0.847 ' HG2' ' HB2' ' A' ' 412' ' ' LEU . 3.1 mppt? -76.45 -17.19 59.44 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.633 -179.018 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 426' ' ' GLU . . . . . 0.64 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 1.0 OUTLIER -62.49 -57.13 12.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.737 0.78 . . . . 0.0 109.289 173.848 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -66.13 -24.67 66.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.077 177.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 428' ' ' ARG . . . . . 0.565 ' HB3' ' HA ' ' A' ' 425' ' ' LYS . 12.8 tpt180 -74.99 -43.67 52.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.801 -177.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.655 ' HB3' HD11 ' A' ' 412' ' ' LEU . 3.9 pp -61.2 -41.68 97.25 Favored 'General case' 0 CA--C 1.513 -0.456 0 C-N-CA 120.604 -0.438 . . . . 0.0 109.882 179.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 430' ' ' TRP . . . . . 0.411 ' N ' HD12 ' A' ' 429' ' ' LEU . 3.8 t90 -71.12 -28.8 64.57 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.381 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.687 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 39.8 tt0 -65.83 -53.44 40.04 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.409 179.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.42 HG23 HD12 ' A' ' 409' ' ' LEU . 13.0 m -70.21 -30.09 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.714 178.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -65.21 -46.07 82.18 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 434' ' ' ARG . . . . . 0.687 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 13.6 ptm180 -65.5 -29.09 69.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.242 -178.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 435' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 431' ' ' GLU . 79.2 mt -70.74 -59.49 3.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 121.22 -0.192 . . . . 0.0 110.687 177.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . 0.442 ' HB2' HG13 ' A' ' 402' ' ' ILE . 4.2 pp -58.38 -32.9 69.02 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.682 0.277 . . . . 0.0 110.874 -179.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . 0.698 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 86.4 m -73.59 -54.08 9.01 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.461 179.306 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -63.95 -32.54 74.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.77 0.319 . . . . 0.0 110.679 -178.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 439' ' ' LEU . . . . . 0.566 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 42.5 tp -61.65 -56.63 17.7 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.342 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 440' ' ' LYS . . . . . 0.698 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 51.4 pttt -63.23 -27.53 69.42 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.12 0.486 . . . . 0.0 111.143 179.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 441' ' ' ARG . . . . . 0.458 ' HG2' ' O ' ' A' ' 437' ' ' THR . 35.7 mmt180 -69.06 -53.26 21.31 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.973 178.125 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -72.24 -7.06 47.27 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.728 0.299 . . . . 0.0 111.578 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 56.0 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.346 175.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 . . . . . 0 C--O 1.237 0.399 0 CA-C-O 121.529 0.68 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -69.3 -14.89 63.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.978 176.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.04 -57.84 15.43 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.485 177.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.536 HD12 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -64.37 -37.5 80.13 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.573 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.28 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . 0.673 ' O ' ' HG3' ' A' ' 403' ' ' ARG . 33.6 mmtp -57.92 -50.9 71.77 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.309 -178.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . 0.418 ' OE1' ' HD3' ' A' ' 403' ' ' ARG . 5.9 tp10 -66.01 -50.57 63.79 Favored 'General case' 0 C--O 1.244 0.805 0 CA-C-O 121.403 0.62 . . . . 0.0 110.576 178.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 401' ' ' GLU . . . . . 0.446 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 44.0 mt-10 -57.33 -50.69 72.15 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.913 -179.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 402' ' ' ILE . . . . . 0.52 ' HA ' ' HB2' ' A' ' 405' ' ' GLN . 11.5 tt -60.83 -28.99 44.4 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.225 0 N-CA-C 111.355 0.132 . . . . 0.0 111.355 -175.161 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.673 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 56.5 mtp180 -58.89 -52.65 64.83 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 173.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . 0.462 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 29.9 mmm180 -73.79 -38.98 64.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.229 -178.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 405' ' ' GLN . . . . . 0.52 ' HB2' ' HA ' ' A' ' 402' ' ' ILE . 97.7 mt-30 -60.11 -55.76 29.96 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.548 177.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -60.9 -30.37 70.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.949 0.404 . . . . 0.0 110.285 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.466 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 1.9 t80 -63.03 -53.33 55.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.182 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . 0.546 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.0 pp -75.62 -29.86 59.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 409' ' ' LEU . . . . . 0.505 HD12 HG13 ' A' ' 432' ' ' VAL . 6.6 tt -61.17 -46.65 89.65 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 176.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -57.72 -40.65 80.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.586 176.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . 0.608 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 30.1 m -65.66 -55.12 19.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.361 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.643 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 3.8 pp -69.44 -19.8 63.78 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 120.294 -0.563 . . . . 0.0 110.752 -179.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . 0.405 ' N ' HD12 ' A' ' 412' ' ' LEU . 11.5 t-160 -72.72 -39.12 67.19 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.409 173.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 414' ' ' ARG . . . . . 0.608 ' HG2' ' O ' ' A' ' 411' ' ' SER . 20.2 ptt180 -76.31 -8.77 57.81 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.567 -179.197 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -63.28 -25.37 68.28 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 167.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 31.0 mt . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.802 -175.611 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 13.3 t70 . . . . . 0 CA--C 1.522 -0.119 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . 0.416 ' N ' HD12 ' A' ' 423' ' ' LEU . 5.7 mp -102.31 -16.07 16.39 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.235 0.54 . . . . 0.0 109.741 -178.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 20.0 t -68.01 -51.81 42.76 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.676 -175.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . 0.643 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 0.0 OUTLIER -74.88 -18.17 60.46 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.438 -177.522 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 426' ' ' GLU . . . . . 0.703 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 34.9 tt0 -72.44 -53.58 11.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.09 0.471 . . . . 0.0 110.242 178.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -65.31 -25.48 67.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.156 0.503 . . . . 0.0 110.396 176.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 428' ' ' ARG . . . . . 0.438 ' HE ' ' HB2' ' A' ' 428' ' ' ARG . 8.9 ttm180 -78.79 -39.66 35.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.1 -177.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.703 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.3 pp -61.18 -34.85 75.73 Favored 'General case' 0 CA--C 1.514 -0.44 0 C-N-CA 120.358 -0.537 . . . . 0.0 109.68 175.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.1 t90 -71.16 -32.71 69.26 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 120.604 -0.439 . . . . 0.0 110.719 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.634 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 42.6 tt0 -61.34 -55.04 36.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.375 178.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.505 HG13 HD12 ' A' ' 409' ' ' LEU . 7.5 p -68.64 -30.79 48.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.584 179.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -64.69 -48.43 74.73 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 120.983 0.421 . . . . 0.0 110.256 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 434' ' ' ARG . . . . . 0.634 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 3.9 ptm180 -64.64 -30.05 71.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.11 -177.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 435' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 431' ' ' GLU . 86.2 mt -68.29 -59.07 4.08 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.216 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.652 176.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . 0.431 ' O ' ' HG2' ' A' ' 440' ' ' LYS . 4.5 pp -60.13 -30.04 69.03 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.895 0.379 . . . . 0.0 111.053 -178.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . 0.451 ' O ' ' HG2' ' A' ' 441' ' ' ARG . 90.5 m -67.43 -59.6 3.25 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.651 176.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -64.16 -29.69 70.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.911 0.386 . . . . 0.0 111.029 -178.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 439' ' ' LEU . . . . . 0.417 ' HG ' ' HB ' ' A' ' 398' ' ' ILE . 21.5 tp -64.14 -61.41 2.27 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 -177.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 440' ' ' LYS . . . . . 0.536 ' HB3' HD12 ' A' ' 398' ' ' ILE . 24.1 pttm -63.95 -30.35 71.44 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.425 -176.231 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 441' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 437' ' ' THR . 30.7 mmm180 -70.13 -58.04 4.25 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.43 178.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -67.58 -15.1 63.48 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -177.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 439' ' ' LEU . 3.8 mm? . . . . . 0 C--N 1.327 -0.399 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 . . . . . 0 C--O 1.241 0.645 0 CA-C-O 122.059 0.933 . . . . 0.0 108.601 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . 0.674 ' HA ' ' HB2' ' A' ' 399' ' ' LYS . . . -63.65 -8.12 9.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.877 173.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.4 -63.51 4.8 Favored Glycine 0 N--CA 1.443 -0.893 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.555 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -71.46 -28.04 30.54 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.594 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.245 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . 0.674 ' HB2' ' HA ' ' A' ' 396' ' ' ALA . 2.7 mptp? -60.63 -52.3 65.73 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.275 178.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -64.81 -50.14 67.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.186 0.517 . . . . 0.0 110.021 176.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 401' ' ' GLU . . . . . 0.498 ' HB3' HE21 ' A' ' 405' ' ' GLN . 41.8 mt-10 -61.8 -38.19 87.19 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.886 -175.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 402' ' ' ILE . . . . . 0.445 HD12 HD11 ' A' ' 398' ' ' ILE . 12.6 tt -68.63 -35.43 70.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 118.217 0.462 . . . . 0.0 110.498 -177.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.62 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 70.8 mtp180 -63.36 -44.93 93.4 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.006 -0.677 . . . . 0.0 109.796 174.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . 0.462 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 75.7 mtp180 -66.3 -50.45 63.62 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.113 178.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 405' ' ' GLN . . . . . 0.498 HE21 ' HB3' ' A' ' 401' ' ' GLU . 47.3 mt-30 -67.39 -49.8 62.37 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 116.002 -0.544 . . . . 0.0 112.279 -176.098 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -63.41 -27.2 69.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 118.255 0.479 . . . . 0.0 110.418 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.62 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.9 t80 -65.12 -55.15 20.35 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.901 176.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . 0.503 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.6 pp -72.28 -27.02 62.21 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.8 179.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 409' ' ' LEU . . . . . 0.478 ' N ' HD12 ' A' ' 408' ' ' LEU . 14.7 tp -63.81 -47.82 79.34 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 176.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -55.54 -41.53 73.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.372 173.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . 0.641 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 24.5 m -63.38 -59.57 4.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.182 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.612 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 4.0 pp -66.53 -19.38 65.77 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.789 -177.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -68.02 -37.83 81.86 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.801 0.334 . . . . 0.0 110.605 172.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 414' ' ' ARG . . . . . 0.641 ' HG2' ' O ' ' A' ' 411' ' ' SER . 5.3 ptp180 -78.17 -13.67 59.77 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 177.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -79.43 -8.21 58.95 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.527 173.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 95.9 mt . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.613 178.642 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . 0.61 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 11.6 t70 . . . . . 0 C--O 1.231 0.117 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 74.5 mt -109.67 -29.67 8.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.129 0.49 . . . . 0.0 110.636 -178.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 50.4 m -68.58 -44.61 74.03 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.136 -175.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . 0.612 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 9.6 mptt -60.99 -34.91 75.52 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.062 0.458 . . . . 0.0 110.811 -179.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 426' ' ' GLU . . . . . 0.536 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 11.6 tp10 -64.45 -58.46 6.37 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.233 -177.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -65.63 -24.7 67.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.95 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 428' ' ' ARG . . . . . 0.403 ' O ' HG23 ' A' ' 432' ' ' VAL . 16.1 tpt180 -73.08 -44.04 61.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.271 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 3.0 pp -66.09 -37.05 84.82 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.588 -175.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -73.58 -33.49 64.66 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.18 0.514 . . . . 0.0 110.008 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.486 ' O ' HG13 ' A' ' 435' ' ' ILE . 41.8 tt0 -61.22 -52.48 64.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.631 174.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.414 ' CG1' ' HB3' ' A' ' 405' ' ' GLN . 71.0 t -56.79 -50.31 75.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.315 177.19 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -59.21 -43.59 92.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.845 -176.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 434' ' ' ARG . . . . . 0.468 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 13.0 ptt180 -71.37 -25.06 62.21 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.156 -175.267 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 435' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 431' ' ' GLU . 76.9 mt -74.91 -53.96 15.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-O 120.536 0.208 . . . . 0.0 111.094 178.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . . . . . . . . . 4.3 pp -61.86 -34.25 75.65 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.603 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 85.9 m -72.34 -44.93 61.93 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.031 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.23 -44.54 95.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.975 0.417 . . . . 0.0 110.719 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 439' ' ' LEU . . . . . 0.494 HD23 ' HB ' ' A' ' 398' ' ' ILE . 42.5 tp -61.99 -57.89 9.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.607 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 440' ' ' LYS . . . . . 0.555 ' HB3' HG13 ' A' ' 398' ' ' ILE . 20.6 ptmt -59.22 -38.4 79.86 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.928 0.394 . . . . 0.0 111.56 -174.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 -72.63 -42.01 64.9 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.588 -176.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -85.28 -6.34 59.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.574 0.226 . . . . 0.0 111.491 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 57.1 tp . . . . . 0 C--N 1.325 -0.483 0 CA-C-O 120.627 0.251 . . . . 0.0 110.792 178.101 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 . . . . . 0 C--O 1.235 0.335 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -67.87 -11.62 59.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.405 174.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.95 -58.76 11.39 Favored Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.381 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.562 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -69.41 -31.04 47.84 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.501 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 177.68 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . 0.897 ' HA ' ' HE3' ' A' ' 399' ' ' LYS . 0.3 OUTLIER -54.37 -62.98 1.3 Allowed 'General case' 0 C--O 1.236 0.366 0 CA-C-O 120.896 0.379 . . . . 0.0 111.815 -179.531 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . 0.522 ' OE1' ' HD2' ' A' ' 403' ' ' ARG . 6.2 tp10 -67.96 -43.28 79.39 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.156 0.503 . . . . 0.0 110.317 -175.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 401' ' ' GLU . . . . . 0.486 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 51.9 mm-40 -61.66 -43.76 98.24 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.148 -179.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 402' ' ' ILE . . . . . 0.562 HD12 HD11 ' A' ' 398' ' ' ILE . 11.5 tt -63.42 -31.29 52.32 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.219 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.689 -176.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.526 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 84.8 mtt180 -58.67 -49.47 77.44 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.182 0.515 . . . . 0.0 109.833 173.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 30.3 mmm180 -71.45 -40.8 70.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.982 -178.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 405' ' ' GLN . . . . . 0.655 ' NE2' ' HB3' ' A' ' 436' ' ' LEU . 26.8 mt-30 -67.5 -49.32 64.01 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.508 -178.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -62.69 -30.11 71.15 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.098 0.475 . . . . 0.0 109.801 176.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.526 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.3 t80 -60.84 -54.09 49.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.72 177.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . 0.536 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.5 pp -73.32 -29.36 62.63 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.182 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 409' ' ' LEU . . . . . 0.479 ' O ' ' HB2' ' A' ' 413' ' ' HIS . 7.1 tt -62.91 -46.75 86.34 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -60.25 -41.19 92.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.34 0.591 . . . . 0.0 109.955 177.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 30.6 t -64.77 -56.37 14.0 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.22 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 4.3 pp -67.72 -19.26 65.13 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.549 -0.46 . . . . 0.0 111.047 -179.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . 0.479 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 17.2 t-160 -66.69 -42.28 86.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.048 175.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -79.77 -12.47 59.78 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.001 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -66.72 -18.07 65.18 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.927 0.394 . . . . 0.0 111.383 173.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.481 HD21 ' HB2' ' A' ' 425' ' ' LYS . 68.8 mt . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.684 178.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . 0.491 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 11.2 t70 . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.876 0.369 . . . . 0.0 110.426 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . 0.429 ' N ' HD12 ' A' ' 423' ' ' LEU . 5.3 mp -114.6 -22.65 9.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.081 0.467 . . . . 0.0 110.481 178.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 58.2 p -63.37 -45.69 89.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.702 -174.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . 0.491 ' HD3' ' OD1' ' A' ' 422' ' ' ASP . 13.5 mptt -66.48 -26.22 67.08 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.739 0.304 . . . . 0.0 110.978 -177.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 426' ' ' GLU . . . . . 0.685 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 41.2 tt0 -71.73 -44.16 64.62 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.319 0.581 . . . . 0.0 109.715 -178.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -69.55 -22.99 63.51 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.906 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -77.62 -42.87 33.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.075 179.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.685 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.6 pp -61.32 -32.41 72.28 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 177.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 430' ' ' TRP . . . . . 0.413 ' N ' HD12 ' A' ' 429' ' ' LEU . 1.8 t90 -78.67 -33.94 46.68 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.366 177.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.605 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 32.1 tt0 -59.38 -58.5 8.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.326 176.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.438 HG13 HD12 ' A' ' 409' ' ' LEU . 10.1 p -66.22 -30.44 49.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.813 -178.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . 0.545 ' HB2' ' O ' ' A' ' 429' ' ' LEU . 8.5 tt0 -64.82 -48.19 75.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.103 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 434' ' ' ARG . . . . . 0.605 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 5.2 ptm180 -67.41 -30.8 70.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.483 -176.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 435' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 431' ' ' GLU . 87.2 mt -69.5 -52.48 32.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.852 179.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . 0.655 ' HB3' ' NE2' ' A' ' 405' ' ' GLN . 4.5 pp -63.94 -33.06 74.85 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.797 0.332 . . . . 0.0 110.431 -179.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . 0.834 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 74.0 m -70.23 -54.02 14.53 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.035 178.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.06 -37.48 79.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.638 0.256 . . . . 0.0 111.093 -176.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 439' ' ' LEU . . . . . 0.471 ' O ' ' HB2' ' A' ' 443' ' ' LEU . 47.2 tp -65.12 -56.69 11.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.892 -179.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 440' ' ' LYS . . . . . 0.834 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 62.5 pttt -61.36 -31.78 71.67 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.748 0.308 . . . . 0.0 110.917 -177.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 441' ' ' ARG . . . . . 0.448 ' HG2' ' O ' ' A' ' 437' ' ' THR . 35.7 mmt180 -64.96 -61.78 1.95 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.464 177.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -79.67 7.91 7.56 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -175.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . 0.471 ' HB2' ' O ' ' A' ' 439' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.323 -0.581 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 171.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 . . . . . 0 N--CA 1.455 -0.202 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -71.39 -11.83 61.1 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.929 173.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.55 -57.18 11.82 Favored Glycine 0 N--CA 1.446 -0.694 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.551 177.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.79 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -69.0 -32.56 54.96 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.508 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 176.719 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . 0.836 ' HA ' ' HE3' ' A' ' 399' ' ' LYS . 0.1 OUTLIER -57.21 -48.32 79.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.74 0.305 . . . . 0.0 110.321 177.059 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -65.28 -53.03 50.21 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.385 0.612 . . . . 0.0 110.716 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -61.55 -35.7 78.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.248 -178.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 402' ' ' ILE . . . . . 0.79 HD12 HD11 ' A' ' 398' ' ' ILE . 0.5 OUTLIER -67.62 -30.98 50.51 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.527 0 CA-C-N 116.818 -0.174 . . . . 0.0 110.765 179.601 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.583 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 58.1 mtp180 -60.15 -45.2 93.87 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 174.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 -68.52 -47.27 67.38 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.695 178.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 405' ' ' GLN . . . . . 0.568 ' NE2' ' HB3' ' A' ' 436' ' ' LEU . 28.6 mt-30 -70.11 -46.52 64.65 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.357 0.502 . . . . 0.0 112.357 -176.124 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . 0.49 ' HG2' HG12 ' A' ' 402' ' ' ILE . 35.1 mm-40 -63.85 -32.67 74.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 118.077 0.398 . . . . 0.0 110.377 178.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.57 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.0 t80 -60.67 -52.5 64.87 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.04 178.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . 0.623 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.8 pp -75.18 -27.36 59.61 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.968 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 409' ' ' LEU . . . . . 0.527 HD12 HD11 ' A' ' 412' ' ' LEU . 26.3 tp -62.94 -44.19 96.75 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 175.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -62.0 -41.13 97.72 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.332 174.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 41.7 m -65.29 -50.88 64.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.337 -178.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.73 HD13 ' HB3' ' A' ' 429' ' ' LEU . 3.7 pp -69.36 -21.83 63.78 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.597 179.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . 0.489 ' N ' HD12 ' A' ' 412' ' ' LEU . 9.5 m170 -73.15 -39.23 65.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.78 0.324 . . . . 0.0 110.707 174.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -81.96 -2.22 50.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.476 0.655 . . . . 0.0 109.736 175.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -89.35 -29.99 18.72 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.256 -0.883 . . . . 0.0 109.381 173.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.457 HD21 ' HB2' ' A' ' 425' ' ' LYS . 37.5 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.366 178.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 9.8 t70 . . . . . 0 C--O 1.233 0.224 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -104.85 -26.82 12.07 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.994 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 27.5 p -62.98 -39.47 94.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.122 -177.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . 0.457 ' HB2' HD21 ' A' ' 416' ' ' LEU . 0.2 OUTLIER -65.79 -24.9 67.03 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.842 0.353 . . . . 0.0 110.972 179.554 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 426' ' ' GLU . . . . . 0.753 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 39.7 tt0 -79.8 -48.94 12.74 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.353 0.597 . . . . 0.0 109.977 -177.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -67.57 -27.81 67.25 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.196 0.522 . . . . 0.0 110.004 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 428' ' ' ARG . . . . . 0.43 ' O ' ' HB3' ' A' ' 431' ' ' GLU . 49.1 mtp180 -80.77 -30.68 36.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.761 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.753 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.4 pp -67.66 -35.48 78.94 Favored 'General case' 0 CA--C 1.51 -0.586 0 C-N-CA 119.779 -0.768 . . . . 0.0 109.501 176.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -74.69 -28.5 60.85 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.878 178.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.587 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 32.4 tt0 -58.78 -62.84 1.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.87 176.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 34.3 m -67.56 -28.69 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 C-N-CA 121.056 -0.258 . . . . 0.0 111.212 -178.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -65.78 -44.41 85.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.387 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 434' ' ' ARG . . . . . 0.587 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 13.5 ptm180 -70.13 -32.54 70.6 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.291 179.281 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 435' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 431' ' ' GLU . 80.3 mt -67.56 -53.93 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.955 178.134 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . 0.568 ' HB3' ' NE2' ' A' ' 405' ' ' GLN . 4.5 pp -62.25 -33.14 74.03 Favored 'General case' 0 CA--C 1.523 -0.089 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.891 -178.035 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . 0.713 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 85.8 m -68.25 -54.78 15.3 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.743 177.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.88 -40.54 93.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.133 -177.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 439' ' ' LEU . . . . . 0.432 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 34.7 tp -61.8 -56.29 21.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.437 -176.349 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 440' ' ' LYS . . . . . 0.713 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 51.8 pttt -62.01 -32.2 72.65 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.944 0.402 . . . . 0.0 111.346 -176.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 441' ' ' ARG . . . . . 0.481 ' HA ' ' HE ' ' A' ' 441' ' ' ARG . 1.5 mmp_? -77.73 -40.75 40.05 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -178.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -75.49 -15.3 60.42 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -178.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 87.4 mt . . . . . 0 C--N 1.324 -0.503 0 CA-C-O 120.893 0.378 . . . . 0.0 110.889 176.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . 0.449 ' O ' ' HD3' ' A' ' 399' ' ' LYS . 18.1 mm-40 . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.833 0.349 . . . . 0.0 110.202 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . 0.425 ' HA ' ' HB2' ' A' ' 399' ' ' LYS . . . -65.62 -14.51 61.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.828 177.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.03 -63.61 4.26 Favored Glycine 0 N--CA 1.441 -0.985 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.552 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -72.67 -33.27 44.0 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.806 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 178.686 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . 0.454 ' O ' HG22 ' A' ' 402' ' ' ILE . 3.0 mptp? -57.75 -54.46 46.64 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -178.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -70.65 -44.95 66.07 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.813 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 401' ' ' GLU . . . . . 0.568 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 33.7 mt-10 -63.7 -40.7 97.44 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 111.671 0.249 . . . . 0.0 111.671 -179.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 402' ' ' ILE . . . . . 0.552 HD12 HD11 ' A' ' 398' ' ' ILE . 10.5 tt -64.9 -33.25 62.3 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.531 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 -178.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.633 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 96.4 mtt180 -61.89 -39.47 92.08 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 120.716 -0.393 . . . . 0.0 109.99 174.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . 0.463 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 13.4 mmt180 -72.25 -43.59 64.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.799 176.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 405' ' ' GLN . . . . . 0.568 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 46.3 mt-30 -66.67 -48.84 68.08 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.486 -177.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . 0.462 ' HG2' HG12 ' A' ' 402' ' ' ILE . 7.2 mm-40 -63.05 -30.72 71.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.972 0.415 . . . . 0.0 110.105 176.356 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.633 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 5.4 t80 -61.81 -55.73 26.9 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.983 178.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . 0.625 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.0 pp -73.89 -25.91 60.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.395 179.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 409' ' ' LEU . . . . . 0.601 HD12 HD11 ' A' ' 412' ' ' LEU . 23.7 tp -64.95 -43.98 90.95 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 175.333 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -60.45 -41.99 95.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.767 174.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 35.5 t -62.68 -52.46 63.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.249 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.631 HD13 ' HB3' ' A' ' 429' ' ' LEU . 3.4 pp -71.37 -21.55 62.01 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.376 -0.529 . . . . 0.0 111.266 -178.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . 0.507 ' N ' HD12 ' A' ' 412' ' ' LEU . 5.4 m170 -73.89 -40.28 63.3 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.346 174.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 414' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 414' ' ' ARG . 13.8 ptp180 -76.23 -7.98 56.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.347 0.594 . . . . 0.0 109.571 175.248 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -84.87 -21.56 29.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.735 174.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 412' ' ' LEU . 88.1 mt . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.403 -176.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . 0.461 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 9.9 t0 . . . . . 0 N--CA 1.451 -0.408 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -88.35 -19.12 27.08 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.082 -177.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 19.1 m -67.98 -43.75 78.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.035 0.445 . . . . 0.0 110.007 -178.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . 0.461 ' HD3' ' OD1' ' A' ' 422' ' ' ASP . 0.2 OUTLIER -61.58 -26.91 68.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.522 179.371 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 426' ' ' GLU . . . . . 0.706 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 34.8 tt0 -77.11 -53.52 7.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.188 0.518 . . . . 0.0 110.497 -175.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -63.25 -34.05 76.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.212 0.529 . . . . 0.0 110.235 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 428' ' ' ARG . . . . . 0.447 ' O ' HG23 ' A' ' 432' ' ' VAL . 11.0 mmt180 -70.24 -39.62 74.92 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.032 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.706 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 3.2 pp -62.23 -38.28 88.63 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 120.124 -0.63 . . . . 0.0 110.072 -178.025 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.4 t90 -70.81 -35.9 72.72 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.858 -177.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.603 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 20.4 tp10 -67.99 -41.66 81.95 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 177.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 428' ' ' ARG . 72.3 t -61.9 -48.86 86.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.716 175.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -61.68 -45.36 94.35 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.333 -177.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 434' ' ' ARG . . . . . 0.603 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 9.2 ptm180 -65.96 -28.72 69.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.621 -176.089 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 435' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 431' ' ' GLU . 70.5 mt -74.79 -57.77 5.9 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.254 0 CA-C-N 116.874 -0.148 . . . . 0.0 111.159 178.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . 0.463 HD12 ' N ' ' A' ' 437' ' ' THR . 4.1 pp -57.96 -37.67 74.6 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.737 0.303 . . . . 0.0 110.918 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . 0.517 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 88.6 m -68.09 -59.49 3.2 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.738 178.141 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.34 -38.15 82.89 Favored 'General case' 0 CA--C 1.52 -0.209 0 C-N-CA 121.235 -0.186 . . . . 0.0 111.027 -175.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 439' ' ' LEU . . . . . 0.441 HD23 ' HB ' ' A' ' 398' ' ' ILE . 46.5 tp -58.78 -58.5 8.35 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.868 -177.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 440' ' ' LYS . . . . . 0.517 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 58.5 pttt -61.63 -28.31 69.28 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.901 0.381 . . . . 0.0 111.069 -177.129 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -72.47 -53.03 13.29 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.869 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 7.7 ptmm? -76.96 -12.05 59.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.986 0.422 . . . . 0.0 111.234 -177.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 44.8 tp . . . . . 0 C--N 1.323 -0.584 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.018 179.699 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 . . . . . 0 C--O 1.24 0.567 0 CA-C-O 121.406 0.622 . . . . 0.0 109.673 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . 0.455 ' HA ' ' HB2' ' A' ' 399' ' ' LYS . . . -70.04 -9.55 55.72 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.319 175.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.93 -56.4 21.11 Favored Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 111.124 -0.791 . . . . 0.0 111.124 176.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.566 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -67.52 -32.63 57.91 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.565 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 177.46 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . 0.455 ' HB2' ' HA ' ' A' ' 396' ' ' ALA . 32.4 mmtp -59.27 -46.19 89.2 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.482 177.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -72.94 -41.87 64.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.048 0.452 . . . . 0.0 110.217 178.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 401' ' ' GLU . . . . . 0.598 ' HB3' HE21 ' A' ' 405' ' ' GLN . 30.2 mm-40 -60.02 -48.83 80.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.452 177.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 402' ' ' ILE . . . . . . . . . . . . . 13.2 tt -66.53 -34.89 73.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.705 -0.225 . . . . 0.0 110.836 -174.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.612 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 95.8 mtt180 -59.02 -49.72 76.84 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 174.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . 0.598 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 41.9 mtm-85 -69.47 -49.27 56.44 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.199 -178.366 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 405' ' ' GLN . . . . . 0.598 HE21 ' HB3' ' A' ' 401' ' ' GLU . 47.9 mt-30 -70.85 -33.39 70.59 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -172.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -82.01 -22.57 36.43 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 119.713 -0.795 . . . . 0.0 110.603 177.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.612 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.8 t80 -67.54 -51.79 46.56 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 176.283 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 404' ' ' ARG . 2.0 pp -71.95 -30.51 65.38 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.738 177.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 409' ' ' LEU . . . . . 0.573 ' HB2' ' O ' ' A' ' 405' ' ' GLN . 7.3 tt -58.53 -52.47 65.51 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 175.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -53.71 -43.83 69.34 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.856 177.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . 0.645 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 20.9 m -64.73 -60.22 3.34 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.852 -179.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.719 HD11 ' HB3' ' A' ' 429' ' ' LEU . 4.4 pp -63.88 -24.2 67.65 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.057 0.456 . . . . 0.0 111.144 -177.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . 0.472 ' N ' HD12 ' A' ' 412' ' ' LEU . 12.6 t-80 -65.22 -41.35 94.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.773 176.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 414' ' ' ARG . . . . . 0.645 ' HG2' ' O ' ' A' ' 411' ' ' SER . 21.5 ptt180 -74.47 -21.07 59.76 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.158 -177.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -69.08 -15.41 63.44 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.317 173.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.649 HD21 ' HB2' ' A' ' 425' ' ' LYS . 93.3 mt . . . . . 0 C--N 1.329 -0.297 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -177.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 24.7 t70 . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.66 0.267 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 86.2 mt -117.57 1.13 12.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.19 175.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 1.9 m -69.65 -52.3 27.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.398 0.618 . . . . 0.0 109.888 -178.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . 0.649 ' HB2' HD21 ' A' ' 416' ' ' LEU . 12.8 mptt -66.61 -22.69 66.12 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.791 178.417 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 426' ' ' GLU . . . . . 0.645 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 39.4 tt0 -71.23 -46.63 60.67 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.43 -178.12 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -64.46 -28.88 69.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.208 0.528 . . . . 0.0 109.804 176.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -78.26 -39.8 39.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.816 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.719 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.3 pp -62.35 -36.94 83.79 Favored 'General case' 0 CA--C 1.513 -0.473 0 C-N-CA 120.171 -0.612 . . . . 0.0 109.559 175.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 430' ' ' TRP . . . . . 0.475 ' N ' HD12 ' A' ' 429' ' ' LEU . 5.1 t90 -72.48 -29.22 63.46 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.542 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.458 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 16.2 tt0 -70.21 -49.26 52.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.343 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.528 ' HB ' ' HB3' ' A' ' 405' ' ' GLN . 14.2 m -67.52 -30.13 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 C-N-CA 120.804 -0.359 . . . . 0.0 110.266 178.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -67.83 -49.84 59.99 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.323 178.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 434' ' ' ARG . . . . . 0.458 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 41.2 ptt180 -63.85 -23.04 67.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.812 -177.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 435' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 431' ' ' GLU . 84.2 mt -79.58 -55.15 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 121.215 -0.194 . . . . 0.0 111.099 175.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . . . . . . . . . 4.4 pp -64.05 -34.15 77.37 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.247 -177.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . 0.558 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 91.2 m -76.21 -46.25 29.17 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 111.595 0.22 . . . . 0.0 111.595 179.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -64.44 -34.92 79.32 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.754 -177.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 439' ' ' LEU . . . . . 0.442 HD23 ' HB ' ' A' ' 398' ' ' ILE . 31.3 tp -69.16 -52.04 32.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.818 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 440' ' ' LYS . . . . . 0.566 ' HB3' HG13 ' A' ' 398' ' ' ILE . 64.9 pttt -61.03 -35.88 78.06 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 120.822 0.344 . . . . 0.0 110.728 -177.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 39.9 mmt180 -71.39 -53.34 14.41 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.955 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -74.5 -8.0 54.87 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -177.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 35.3 tp . . . . . 0 C--N 1.329 -0.292 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.275 179.068 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . 0.462 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 3.2 mm-40 . . . . . 0 CA--C 1.52 -0.191 0 CA-C-O 121.264 0.554 . . . . 0.0 109.521 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -65.43 -12.87 56.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.71 175.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.95 -62.3 5.84 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 111.236 -0.745 . . . . 0.0 111.236 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.521 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -69.13 -34.67 64.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.67 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.37 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . 0.605 ' O ' ' HG3' ' A' ' 403' ' ' ARG . 33.6 mmtp -58.0 -54.41 47.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.579 0.228 . . . . 0.0 111.236 -177.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -69.56 -42.28 74.78 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 120.809 0.338 . . . . 0.0 111.087 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 401' ' ' GLU . . . . . 0.546 ' HB3' HE21 ' A' ' 405' ' ' GLN . 33.8 mt-10 -62.52 -46.05 90.21 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.785 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 402' ' ' ILE . . . . . 0.455 HG22 ' O ' ' A' ' 399' ' ' LYS . 12.1 tt -64.17 -29.77 48.24 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.301 0 C-N-CA 121.346 -0.142 . . . . 0.0 110.838 -176.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.605 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 76.3 mtp180 -59.02 -48.25 82.28 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 174.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . 0.555 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 75.8 mtp180 -76.95 -38.45 53.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.913 -179.262 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 405' ' ' GLN . . . . . 0.546 HE21 ' HB3' ' A' ' 401' ' ' GLU . 73.3 mt-30 -64.86 -49.61 69.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.829 -0.169 . . . . 0.0 111.069 179.201 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -65.4 -28.75 69.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.874 0.369 . . . . 0.0 110.313 177.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.584 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.7 t80 -61.41 -58.62 7.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.527 176.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 404' ' ' ARG . 2.7 pp -72.06 -30.73 65.44 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.244 -178.086 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 409' ' ' LEU . . . . . 0.641 HD12 HG23 ' A' ' 432' ' ' VAL . 6.6 tt -60.22 -47.44 85.96 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 176.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 410' ' ' ASN . . . . . 0.434 ' O ' ' HG3' ' A' ' 414' ' ' ARG . 6.6 t30 -57.91 -46.82 84.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.244 177.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 18.6 m -60.82 -56.84 16.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.43 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.716 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 4.7 pp -66.24 -23.49 66.42 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.092 0.472 . . . . 0.0 110.656 -178.483 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . 0.468 ' HD2' HD12 ' A' ' 416' ' ' LEU . 15.8 t-160 -65.62 -32.35 73.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.738 174.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 414' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 410' ' ' ASN . 43.7 mtp180 -83.77 -17.58 40.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 178.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 415' ' ' ASP . . . . . 0.448 ' OD2' ' HA ' ' A' ' 412' ' ' LEU . 39.8 m-20 -73.96 -3.56 29.88 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.047 174.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.468 HD12 ' HD2' ' A' ' 413' ' ' HIS . 94.0 mt . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.59 -178.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . 0.596 ' CG ' ' HD3' ' A' ' 425' ' ' LYS . 9.9 t0 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 36.4 mt -92.22 -19.86 21.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.097 0.475 . . . . 0.0 110.584 -176.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 37.4 t -72.4 -39.28 68.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.116 -177.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . 0.716 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 11.9 mptt -62.35 -33.13 74.12 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.836 177.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 426' ' ' GLU . . . . . 0.526 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 47.5 mt-10 -65.95 -48.78 70.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.178 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -67.3 -25.42 66.02 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.3 176.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -77.25 -44.9 28.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.63 -175.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.686 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.0 pp -62.69 -38.59 90.97 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -75.84 -29.59 58.65 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.31 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.61 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 43.2 tt0 -63.08 -56.87 13.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.161 177.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.641 HG23 HD12 ' A' ' 409' ' ' LEU . 20.8 m -68.2 -31.18 50.56 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.831 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -61.84 -46.22 90.39 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 120.888 0.375 . . . . 0.0 110.027 178.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 434' ' ' ARG . . . . . 0.61 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 17.4 ptt180 -68.66 -25.97 65.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.407 -178.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 435' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 431' ' ' GLU . 85.0 mt -74.28 -58.3 5.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.469 176.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . 0.49 HD12 ' N ' ' A' ' 437' ' ' THR . 4.3 pp -60.37 -34.95 74.61 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 121.216 -0.193 . . . . 0.0 111.174 -178.303 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . 0.802 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 90.8 m -69.26 -49.22 58.12 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.668 -0.242 . . . . 0.0 110.84 178.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . 0.588 ' O ' ' HG2' ' A' ' 442' ' ' LYS . . . -63.4 -43.4 97.65 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.391 179.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 23.3 tp -60.63 -51.84 67.67 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.429 -176.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 440' ' ' LYS . . . . . 0.802 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 62.6 pttt -62.02 -32.06 72.51 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.224 0.535 . . . . 0.0 110.726 -178.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 441' ' ' ARG . . . . . 0.587 ' HG3' ' O ' ' A' ' 437' ' ' THR . 36.4 mtm180 -74.57 -46.28 39.83 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.35 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 442' ' ' LYS . . . . . 0.588 ' HG2' ' O ' ' A' ' 438' ' ' ALA . 30.9 mmmt -69.23 -22.83 63.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 111.432 -178.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 89.2 mt . . . . . 0 C--N 1.325 -0.471 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -177.608 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -69.45 -19.89 63.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.252 175.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.32 -60.39 6.77 Favored Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.628 178.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.496 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -66.13 -33.89 66.58 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.856 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.413 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . 0.553 ' O ' ' HG3' ' A' ' 403' ' ' ARG . 3.5 mptp? -59.99 -44.44 94.5 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -178.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 403' ' ' ARG . 33.2 tt0 -71.25 -49.18 45.84 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.071 0.463 . . . . 0.0 110.431 177.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -62.84 -39.1 93.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.301 -177.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 402' ' ' ILE . . . . . 0.496 HD12 HD11 ' A' ' 398' ' ' ILE . 12.3 tt -70.69 -29.91 40.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 -179.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.581 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 97.8 mtt180 -56.1 -50.22 71.67 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 173.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . 0.502 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 38.3 mtp180 -74.37 -40.89 61.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.225 -178.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 405' ' ' GLN . . . . . 0.42 ' O ' ' HB2' ' A' ' 409' ' ' LEU . 44.7 mt-30 -61.87 -45.83 92.08 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.298 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . 0.446 ' HG3' HG12 ' A' ' 402' ' ' ILE . 43.9 mt-10 -75.31 -20.1 59.27 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.65 178.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.581 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.8 t80 -71.67 -49.89 35.59 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 176.195 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . 0.686 HD11 HG11 ' A' ' 432' ' ' VAL . 3.5 pp -71.84 -29.92 64.92 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 120.774 -0.371 . . . . 0.0 110.199 176.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 409' ' ' LEU . . . . . 0.471 ' N ' HD12 ' A' ' 408' ' ' LEU . 27.6 tp -59.76 -44.34 93.89 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 174.151 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -59.14 -54.24 49.19 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.804 176.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . 0.463 ' OG ' ' HA ' ' A' ' 408' ' ' LEU . 12.1 p -64.81 -48.72 73.39 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.811 -175.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.975 HD11 ' HB3' ' A' ' 429' ' ' LEU . 3.9 pp -64.66 -27.8 69.18 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 121.066 -0.254 . . . . 0.0 111.285 -178.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 3.6 m170 -66.52 -35.97 81.55 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.011 0.434 . . . . 0.0 110.431 174.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -75.21 -19.99 59.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.842 178.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 415' ' ' ASP . . . . . 0.489 ' HB2' ' HD3' ' A' ' 425' ' ' LYS . 64.3 m-20 -82.46 -0.86 48.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.555 176.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 412' ' ' LEU . 39.5 mt . . . . . 0 C--N 1.322 -0.602 0 CA-C-O 120.977 0.417 . . . . 0.0 110.398 -178.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 15.6 t70 . . . . . 0 N--CA 1.455 -0.22 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 96.8 mt -108.12 -12.02 15.18 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.008 0.433 . . . . 0.0 110.667 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 12.8 t -70.16 -42.27 72.71 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.575 -177.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . 0.58 ' HA ' ' HB2' ' A' ' 428' ' ' ARG . 50.8 mttm -69.53 -24.02 63.67 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.389 179.288 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 426' ' ' GLU . . . . . 0.529 ' HA ' ' CD2' ' A' ' 429' ' ' LEU . 34.4 tt0 -70.36 -41.95 72.46 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 177.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -66.4 -31.8 72.78 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.972 172.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 428' ' ' ARG . . . . . 0.58 ' HB2' ' HA ' ' A' ' 425' ' ' LYS . 30.5 mmt180 -72.48 -43.29 63.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.409 -179.073 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.975 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.5 pp -64.97 -32.5 74.25 Favored 'General case' 0 CA--C 1.513 -0.475 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.284 -178.107 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 430' ' ' TRP . . . . . 0.407 ' N ' HD12 ' A' ' 429' ' ' LEU . 1.9 t90 -78.99 -29.89 44.06 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.249 177.158 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.559 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 40.1 tt0 -63.8 -59.7 4.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.172 178.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.686 HG11 HD11 ' A' ' 408' ' ' LEU . 24.0 m -65.29 -30.27 49.76 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.844 -179.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . 0.497 ' HB2' ' O ' ' A' ' 429' ' ' LEU . 7.9 tt0 -61.48 -51.76 67.33 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-O 121.18 0.514 . . . . 0.0 109.954 177.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 434' ' ' ARG . . . . . 0.559 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 38.5 ptt180 -69.44 -23.05 63.63 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.461 -177.146 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 435' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 431' ' ' GLU . 75.9 mt -79.15 -57.47 5.21 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.304 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.915 178.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . 0.45 HD12 ' N ' ' A' ' 437' ' ' THR . 4.6 pp -57.71 -33.77 68.75 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.745 0.307 . . . . 0.0 110.811 -179.156 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . 0.45 ' N ' HD12 ' A' ' 436' ' ' LEU . 88.1 m -67.32 -60.12 2.85 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.776 177.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -64.16 -34.5 78.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.758 0.313 . . . . 0.0 111.074 -176.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 439' ' ' LEU . . . . . 0.477 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 21.9 tp -61.12 -56.78 16.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.995 -178.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 440' ' ' LYS . . . . . 0.464 ' HB3' HG13 ' A' ' 398' ' ' ILE . 18.8 pttp -64.54 -27.77 69.19 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.979 0.419 . . . . 0.0 110.88 -177.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 441' ' ' ARG . . . . . 0.408 ' HG2' ' O ' ' A' ' 437' ' ' THR . 29.1 mmm180 -71.99 -52.34 17.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.978 179.04 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -74.96 -8.43 56.47 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 -178.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 78.7 mt . . . . . 0 C--N 1.325 -0.489 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.796 179.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 . . . . . 0 C--O 1.234 0.279 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . 0.632 ' HA ' ' HB2' ' A' ' 399' ' ' LYS . . . -72.26 -4.68 31.02 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.91 176.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.93 -62.69 5.0 Favored Glycine 0 N--CA 1.443 -0.897 0 N-CA-C 110.794 -0.923 . . . . 0.0 110.794 177.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.607 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -68.02 -32.85 57.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 175.461 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . 0.807 ' HA ' ' HE2' ' A' ' 399' ' ' LYS . 0.0 OUTLIER -54.18 -45.71 72.18 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.446 -179.225 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -75.03 -46.7 33.16 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.077 0.465 . . . . 0.0 111.096 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -64.69 -33.04 75.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.087 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 402' ' ' ILE . . . . . 0.607 HD12 HD11 ' A' ' 398' ' ' ILE . 12.3 tt -73.22 -27.97 25.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 178.527 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.62 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 97.3 mtt180 -53.75 -52.46 60.11 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 170.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . 0.481 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 38.2 mmt180 -67.25 -49.11 65.65 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.762 -1.108 . . . . 0.0 111.047 -179.086 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 405' ' ' GLN . . . . . 0.492 ' O ' ' HB2' ' A' ' 409' ' ' LEU . 22.1 mt-30 -63.34 -37.68 88.19 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -175.125 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . 0.497 ' HA ' ' HB3' ' A' ' 409' ' ' LEU . 43.2 mt-10 -81.77 -23.42 36.63 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.673 177.667 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.56 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 4.3 t80 -63.38 -54.08 42.35 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 176.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . 0.62 HD11 HG11 ' A' ' 432' ' ' VAL . 3.1 pp -72.51 -25.65 61.48 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.862 177.208 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 409' ' ' LEU . . . . . 0.497 ' HB3' ' HA ' ' A' ' 406' ' ' GLU . 35.2 tp -61.4 -45.44 94.35 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 175.117 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -61.8 -43.47 98.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.089 174.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . 0.432 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 30.7 m -63.37 -47.99 79.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.832 -177.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.874 ' HB2' ' HB3' ' A' ' 425' ' ' LYS . 3.8 pp -72.46 -23.66 61.09 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.539 -179.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . 0.505 ' N ' HD12 ' A' ' 412' ' ' LEU . 9.1 m170 -71.91 -44.7 63.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.943 0.401 . . . . 0.0 111.039 175.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 414' ' ' ARG . . . . . 0.432 ' HG2' ' O ' ' A' ' 411' ' ' SER . 25.5 ptt180 -72.31 -16.29 61.9 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.875 177.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -80.53 -26.05 38.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.703 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.789 HD21 ' HB2' ' A' ' 425' ' ' LYS . 38.2 mt . . . . . 0 C--N 1.327 -0.398 0 CA-C-O 121.286 0.565 . . . . 0.0 110.53 176.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . 0.644 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 8.9 t70 . . . . . 0 N--CA 1.451 -0.394 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 85.6 mt -97.02 -11.39 24.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.01 0.433 . . . . 0.0 111.01 -176.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 424' ' ' SER . . . . . 0.452 ' O ' ' HB2' ' A' ' 428' ' ' ARG . 36.5 t -73.24 -38.66 65.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.092 -0.503 . . . . 0.0 109.845 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . 0.874 ' HB3' ' HB2' ' A' ' 412' ' ' LEU . 12.7 mmtp -69.5 -28.5 66.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.511 178.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 426' ' ' GLU . . . . . 0.695 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 32.7 tt0 -69.01 -51.56 37.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.137 -177.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -67.44 -26.06 66.21 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.093 178.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 428' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' A' ' 424' ' ' SER . 10.4 ttm180 -77.23 -39.23 49.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.785 -177.381 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.706 ' HB3' ' CD1' ' A' ' 412' ' ' LEU . 4.5 pp -65.07 -37.71 88.42 Favored 'General case' 0 CA--C 1.511 -0.549 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.102 179.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 430' ' ' TRP . . . . . 0.428 ' N ' HD12 ' A' ' 429' ' ' LEU . 1.8 t90 -74.45 -29.34 61.44 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.034 178.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.634 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 41.0 tt0 -61.29 -56.65 18.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.038 177.204 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.62 HG11 HD11 ' A' ' 408' ' ' LEU . 24.0 m -71.17 -32.45 47.64 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.227 -179.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -62.12 -48.11 81.59 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 120.852 0.358 . . . . 0.0 110.039 179.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 434' ' ' ARG . . . . . 0.634 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 13.7 ptm180 -64.3 -34.03 77.2 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.248 -177.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 435' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 431' ' ' GLU . 78.9 mt -72.09 -53.49 19.74 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.978 179.206 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . 0.409 HD12 ' N ' ' A' ' 437' ' ' THR . 4.6 pp -59.93 -34.44 73.22 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.724 -178.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . 0.409 ' N ' HD12 ' A' ' 436' ' ' LEU . 63.0 m -71.09 -58.63 3.38 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.57 179.251 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -58.22 -41.7 84.65 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 120.844 0.354 . . . . 0.0 110.913 -175.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 439' ' ' LEU . . . . . 0.448 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 37.5 tp -63.08 -55.98 20.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.099 -177.362 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 440' ' ' LYS . . . . . 0.507 ' HB3' HG13 ' A' ' 398' ' ' ILE . 18.4 pttp -66.16 -28.96 69.18 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.81 0.338 . . . . 0.0 111.33 -174.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -75.32 -43.28 51.67 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.617 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -17.36 61.7 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 121.152 -0.219 . . . . 0.0 111.539 179.413 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 78.9 mt . . . . . 0 C--N 1.327 -0.405 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.534 177.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . 0.432 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 15.0 mm100 . . . . . 0 N--CA 1.456 -0.164 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -65.13 -19.02 65.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.849 173.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 397' ' ' GLY . . . . . 0.435 ' O ' ' HG2' ' A' ' 401' ' ' GLU . . . -62.96 -58.18 12.96 Favored Glycine 0 N--CA 1.444 -0.826 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.49 177.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.403 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -66.7 -29.63 47.06 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.59 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -178.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . 0.561 ' O ' HG22 ' A' ' 402' ' ' ILE . 20.9 mmtp -63.79 -47.93 78.96 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.56 177.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -68.74 -42.59 77.38 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 121.036 0.446 . . . . 0.0 110.476 177.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 401' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 397' ' ' GLY . 7.8 mm-40 -59.1 -52.05 67.4 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.606 177.293 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 402' ' ' ILE . . . . . 0.776 HG13 HD13 ' A' ' 436' ' ' LEU . 10.5 tt -59.16 -30.3 43.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.619 -175.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.604 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 80.0 mtp180 -61.03 -57.28 13.28 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.691 -0.403 . . . . 0.0 110.299 175.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . 0.455 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 23.8 ptt180 -77.84 -22.17 50.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.865 -176.476 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 405' ' ' GLN . . . . . 0.514 ' CB ' HD11 ' A' ' 436' ' ' LEU . 16.1 mm100 -84.41 -44.7 13.46 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.408 0.151 . . . . 0.0 111.408 -179.448 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . 0.434 ' CG ' HG12 ' A' ' 402' ' ' ILE . 25.0 mm-40 -65.0 -25.94 68.07 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 172.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.604 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 0.9 OUTLIER -59.45 -58.43 8.65 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.73 -1.123 . . . . 0.0 109.959 176.687 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . 0.5 ' HA ' ' OG ' ' A' ' 411' ' ' SER . 2.0 pp -75.2 -25.41 58.18 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.319 -178.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 409' ' ' LEU . . . . . 0.524 ' O ' ' HB2' ' A' ' 413' ' ' HIS . 6.1 tt -60.18 -46.23 90.4 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 173.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -62.59 -49.0 76.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.014 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . 0.5 ' OG ' ' HA ' ' A' ' 408' ' ' LEU . 30.0 p -63.74 -45.87 87.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.521 0.2 . . . . 0.0 111.374 -177.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.726 ' HB2' ' HD2' ' A' ' 425' ' ' LYS . 2.6 pp -69.49 -26.98 64.82 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.074 177.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . 0.524 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 8.5 t-160 -71.15 -39.98 71.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.89 0.376 . . . . 0.0 110.535 176.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 414' ' ' ARG . . . . . 0.447 ' HG2' ' O ' ' A' ' 411' ' ' SER . 11.6 ptm180 -77.48 -9.14 58.73 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.918 0.389 . . . . 0.0 110.144 178.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 415' ' ' ASP . . . . . 0.407 ' HB3' ' O ' ' A' ' 412' ' ' LEU . 30.6 t70 -66.84 -22.11 66.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.876 172.423 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.896 HD21 ' HB2' ' A' ' 425' ' ' LYS . 31.7 mt . . . . . 0 C--O 1.233 0.187 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.667 176.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . 0.461 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 9.9 t0 . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 7.4 mp -95.25 -16.68 22.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.286 0.565 . . . . 0.0 110.134 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 35.3 m -64.34 -39.68 94.37 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.125 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . 0.896 ' HB2' HD21 ' A' ' 416' ' ' LEU . 36.4 mmtm -61.97 -32.44 72.89 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.124 178.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 426' ' ' GLU . . . . . 0.462 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 41.2 mt-10 -66.03 -43.93 86.16 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.404 0.621 . . . . 0.0 109.653 -179.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -68.89 -32.52 72.22 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.953 176.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 428' ' ' ARG . . . . . 0.477 ' O ' HG12 ' A' ' 432' ' ' VAL . 32.6 mmt180 -74.19 -45.76 46.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.365 -177.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.644 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.2 pp -61.38 -33.58 73.9 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 178.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -76.1 -34.71 59.52 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 120.064 -0.655 . . . . 0.0 110.447 178.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.501 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 37.2 tt0 -59.57 -57.34 13.4 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.535 177.134 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.477 HG12 ' O ' ' A' ' 428' ' ' ARG . 4.1 p -63.15 -35.35 71.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.671 -179.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -65.0 -48.53 73.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.308 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 434' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 15.4 ptm180 -67.61 -30.43 70.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.956 -175.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 435' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 431' ' ' GLU . 88.4 mt -69.25 -53.48 25.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 177.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . 0.776 HD13 HG13 ' A' ' 402' ' ' ILE . 96.6 mt -57.56 -42.82 83.79 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.344 178.191 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . 1.069 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 78.6 m -62.85 -57.97 9.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.909 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -58.74 -43.97 90.36 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 120.595 0.236 . . . . 0.0 111.152 -176.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 439' ' ' LEU . . . . . 0.601 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 53.9 tp -56.4 -61.38 2.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.381 -176.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 440' ' ' LYS . . . . . 1.069 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 46.9 pttt -58.68 -31.62 68.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.026 0.441 . . . . 0.0 111.322 -176.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 441' ' ' ARG . . . . . 0.562 ' HG2' ' O ' ' A' ' 437' ' ' THR . 24.2 mmt180 -70.44 -54.1 13.73 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.789 -179.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 442' ' ' LYS . . . . . 0.451 ' HE3' ' HA ' ' A' ' 439' ' ' LEU . 11.7 pttp -77.69 4.25 11.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.908 0.385 . . . . 0.0 111.301 -177.624 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 65.3 mt . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.627 170.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . 0.438 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 20.0 tp60 . . . . . 0 C--O 1.236 0.352 0 CA-C-O 121.244 0.545 . . . . 0.0 109.55 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . 0.442 ' HA ' ' HB2' ' A' ' 399' ' ' LYS . . . -67.76 -11.56 58.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.824 175.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.76 -59.53 9.57 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 177.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.558 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -68.45 -29.53 44.42 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.882 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . 0.442 ' HB2' ' HA ' ' A' ' 396' ' ' ALA . 33.6 mmtp -58.31 -48.67 79.76 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.352 -0.539 . . . . 0.0 111.09 178.19 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -69.57 -48.11 61.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.084 0.469 . . . . 0.0 110.603 177.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -62.81 -38.9 92.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.668 -177.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 402' ' ' ILE . . . . . 0.558 HD12 HD11 ' A' ' 398' ' ' ILE . 10.4 tt -68.35 -36.01 73.23 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.487 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 -179.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.681 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 86.9 mtt180 -59.6 -47.53 85.2 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.956 178.177 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -77.25 -25.72 51.81 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.484 -176.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 405' ' ' GLN . . . . . 0.544 ' O ' ' HB2' ' A' ' 409' ' ' LEU . 44.0 mt-30 -85.24 -38.35 19.01 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.159 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -67.74 -22.24 65.24 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 170.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.681 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 25.9 t80 -68.12 -57.08 6.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.197 -0.91 . . . . 0.0 111.17 -178.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . 0.635 HD21 HG11 ' A' ' 432' ' ' VAL . 1.9 pt? -76.65 -23.2 53.28 Favored 'General case' 0 C--O 1.22 -0.484 0 C-N-CA 119.82 -0.752 . . . . 0.0 109.686 -178.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 409' ' ' LEU . . . . . 0.544 ' HB2' ' O ' ' A' ' 405' ' ' GLN . 4.4 tt -63.68 -42.91 97.97 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 173.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 410' ' ' ASN . . . . . 0.467 ' HB3' ' O ' ' A' ' 407' ' ' PHE . 4.2 t-20 -57.29 -48.58 78.56 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.065 172.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 20.1 t -63.09 -48.6 77.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.696 -178.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.972 ' HB2' ' HB3' ' A' ' 425' ' ' LYS . 4.5 pp -68.59 -24.72 64.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.165 -0.334 . . . . 0.0 111.49 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . 0.422 ' N ' HD12 ' A' ' 412' ' ' LEU . 0.3 OUTLIER -67.21 -44.09 80.44 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 176.338 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -71.77 -16.42 62.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.013 0.435 . . . . 0.0 110.518 175.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -80.24 -17.24 52.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.557 175.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.678 HD21 ' HB2' ' A' ' 425' ' ' LYS . 95.1 mt . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.321 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . 0.478 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 10.0 t70 . . . . . 0 CA--C 1.516 -0.357 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 86.5 mt -108.41 -6.39 16.23 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.507 0.67 . . . . 0.0 109.336 178.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 43.5 t -67.25 -47.17 71.52 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.345 -177.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . 0.972 ' HB3' ' HB2' ' A' ' 412' ' ' LEU . 30.3 mmtm -64.87 -23.84 67.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.927 0.394 . . . . 0.0 110.358 -178.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 426' ' ' GLU . . . . . 0.64 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 32.7 tt0 -71.39 -47.63 54.91 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.745 -177.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -64.74 -35.4 80.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.404 0.621 . . . . 0.0 109.579 176.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -73.36 -37.32 66.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.749 -175.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.867 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.5 pp -65.99 -35.0 79.38 Favored 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 177.203 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -71.77 -31.97 67.18 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.353 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.559 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 10.6 tp10 -66.56 -50.19 63.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.231 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.635 HG11 HD21 ' A' ' 408' ' ' LEU . 19.2 m -69.31 -31.92 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.571 178.334 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -63.74 -50.89 67.32 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.001 0.429 . . . . 0.0 110.043 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 434' ' ' ARG . . . . . 0.559 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 3.6 ptm180 -61.69 -34.17 75.29 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.39 -177.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 435' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 431' ' ' GLU . 82.5 mt -69.76 -58.65 4.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.692 -0.231 . . . . 0.0 111.475 178.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . 0.47 HD12 ' N ' ' A' ' 437' ' ' THR . 4.6 pp -60.98 -30.64 70.39 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.701 0.286 . . . . 0.0 111.255 -177.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . 0.507 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 63.7 m -74.94 -54.5 7.11 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.101 178.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -63.44 -31.8 73.07 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.761 -176.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 45.3 tp -66.81 -59.39 3.58 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.863 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 440' ' ' LYS . . . . . 0.531 ' HB3' HG13 ' A' ' 398' ' ' ILE . 61.3 pttt -59.99 -33.54 72.11 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.784 0.326 . . . . 0.0 111.36 -175.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 441' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 441' ' ' ARG . 10.3 mmm180 -64.87 -64.64 0.82 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.434 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 442' ' ' LYS . . . . . 0.535 ' HD2' ' N ' ' A' ' 442' ' ' LYS . 3.2 mptp? -75.87 -5.91 48.28 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.551 -173.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 50.0 tp . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 121.144 0.497 . . . . 0.0 109.679 172.664 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 . . . . . 0 C--O 1.234 0.279 0 CA-C-O 121.095 0.474 . . . . 0.0 110.041 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . 0.551 ' HA ' ' HB3' ' A' ' 399' ' ' LYS . . . -70.05 -5.33 25.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.559 173.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -66.82 -64.98 2.99 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 177.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.567 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -64.56 -30.48 50.32 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 176.712 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . 0.63 ' O ' ' HG3' ' A' ' 403' ' ' ARG . 15.5 tppt? -56.2 -54.06 49.77 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.66 177.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -68.04 -46.07 72.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.261 0.553 . . . . 0.0 110.369 -178.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -60.81 -44.27 97.08 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.978 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 402' ' ' ILE . . . . . 0.567 HD12 HD11 ' A' ' 398' ' ' ILE . 10.3 tt -65.59 -28.88 45.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 O-C-N 122.971 0.169 . . . . 0.0 111.062 -177.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.63 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 61.2 mtp180 -60.41 -51.96 67.27 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 175.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . 0.4 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 15.6 mmm180 -69.86 -40.08 75.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.815 179.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 405' ' ' GLN . . . . . 0.555 ' NE2' ' HB3' ' A' ' 436' ' ' LEU . 25.8 mt-30 -68.72 -49.99 54.35 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.447 -176.025 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . 0.457 ' HG2' HG12 ' A' ' 402' ' ' ILE . 11.1 mm-40 -63.25 -30.99 72.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.968 0.414 . . . . 0.0 109.916 176.016 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.588 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 1.4 t80 -62.27 -52.65 62.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.085 177.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . 0.59 HD12 ' N ' ' A' ' 409' ' ' LEU . 3.5 pp -73.82 -33.8 64.32 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.37 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 409' ' ' LEU . . . . . 0.691 ' O ' ' HB2' ' A' ' 413' ' ' HIS . 4.1 tt -59.53 -46.44 88.85 Favored 'General case' 0 C--O 1.225 -0.233 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 176.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.6 -48.98 79.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.557 177.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . 0.518 ' OG ' ' HA ' ' A' ' 408' ' ' LEU . 9.7 p -67.07 -43.05 83.64 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -176.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.736 HD11 ' HB3' ' A' ' 429' ' ' LEU . 4.4 pp -72.8 -23.51 60.8 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 120.226 -0.59 . . . . 0.0 110.388 176.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . 0.691 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 3.2 t-160 -67.66 -30.63 70.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.389 0.614 . . . . 0.0 109.617 173.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -85.62 -14.87 44.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.377 175.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 415' ' ' ASP . . . . . 0.603 ' HB2' ' HA ' ' A' ' 412' ' ' LEU . 5.1 t70 -73.72 -19.91 60.67 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.111 178.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.755 HD21 ' HB2' ' A' ' 425' ' ' LYS . 48.9 mt . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.791 178.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . 0.587 ' OD2' ' HG2' ' A' ' 425' ' ' LYS . 26.2 t70 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 7.2 mp -93.59 -11.31 32.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.174 0.512 . . . . 0.0 110.128 -178.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 1.6 m -66.44 -51.82 52.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.581 -178.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . 0.755 ' HB2' HD21 ' A' ' 416' ' ' LEU . 69.7 mmtt -63.2 -25.74 68.48 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.207 -179.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 426' ' ' GLU . . . . . 0.553 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 50.6 mt-10 -66.33 -50.4 63.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.252 0.548 . . . . 0.0 110.011 179.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -66.37 -29.59 69.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.371 0.605 . . . . 0.0 109.948 176.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 428' ' ' ARG . . . . . 0.626 ' O ' HG12 ' A' ' 432' ' ' VAL . 15.5 mmt180 -75.89 -43.42 45.48 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.323 -176.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.736 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.5 pp -61.57 -32.45 72.54 Favored 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 178.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 430' ' ' TRP . . . . . 0.411 ' N ' HD12 ' A' ' 429' ' ' LEU . 2.9 t90 -77.13 -33.48 56.78 Favored 'General case' 0 N--CA 1.438 -1.045 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.57 178.273 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.439 ' O ' HG13 ' A' ' 435' ' ' ILE . 9.5 tp10 -64.11 -56.49 14.48 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -179.271 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.626 HG12 ' O ' ' A' ' 428' ' ' ARG . 2.6 p -60.57 -34.92 60.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.136 178.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -64.43 -50.99 65.4 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.592 -177.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 434' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -69.54 -27.76 65.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.104 -175.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 435' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 431' ' ' GLU . 79.5 mt -69.19 -55.22 16.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 121.296 -0.162 . . . . 0.0 111.135 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . 0.555 ' HB3' ' NE2' ' A' ' 405' ' ' GLN . 3.9 pp -61.66 -40.02 93.42 Favored 'General case' 0 C--O 1.225 -0.232 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 62.2 m -63.89 -49.11 73.97 Favored 'General case' 0 N--CA 1.455 -0.188 0 O-C-N 123.316 0.385 . . . . 0.0 111.027 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.13 -51.22 70.02 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.825 0.345 . . . . 0.0 110.408 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 50.0 tp -59.11 -53.97 52.27 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.626 -176.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 440' ' ' LYS . . . . . 0.505 ' HB3' HG13 ' A' ' 398' ' ' ILE . 21.6 ptmt -58.3 -36.56 73.51 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.137 0.494 . . . . 0.0 111.325 -175.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -72.4 -49.99 29.71 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.241 -177.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -77.79 -8.9 58.67 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.378 -178.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 53.1 tp . . . . . 0 C--N 1.325 -0.484 0 CA-C-O 120.637 0.256 . . . . 0.0 110.849 177.616 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 . . . . . 0 CA--C 1.522 -0.118 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -68.71 -16.78 63.92 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.245 175.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.77 -58.71 11.0 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 178.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.597 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -71.05 -32.63 48.76 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.627 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 177.002 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . 0.885 ' HA ' ' HE2' ' A' ' 399' ' ' LYS . 0.1 OUTLIER -56.59 -50.23 72.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.829 0.347 . . . . 0.0 110.88 -177.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -70.47 -46.25 64.16 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.177 0.513 . . . . 0.0 110.278 -178.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -65.76 -35.24 80.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.943 -177.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 402' ' ' ILE . . . . . 0.597 HD12 HD11 ' A' ' 398' ' ' ILE . 12.6 tt -70.5 -30.09 41.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 -179.422 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.628 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 77.9 mtp180 -60.94 -44.81 96.72 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 173.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . 0.487 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 63.6 mtt85 -68.34 -50.1 55.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.984 178.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 405' ' ' GLN . . . . . 0.556 ' O ' ' HB2' ' A' ' 409' ' ' LEU . 25.5 mt-30 -65.59 -39.59 91.75 Favored 'General case' 0 C--O 1.221 -0.447 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -175.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -77.12 -22.77 52.17 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 119.961 -0.696 . . . . 0.0 110.613 177.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.628 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 4.7 t80 -66.94 -52.91 37.27 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 176.177 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . 0.667 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.9 pp -71.54 -27.04 62.91 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.803 177.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 409' ' ' LEU . . . . . 0.556 ' HB2' ' O ' ' A' ' 405' ' ' GLN . 6.0 tt -61.78 -46.88 87.64 Favored 'General case' 0 C--O 1.223 -0.325 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 174.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -58.1 -41.51 83.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.615 176.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . 0.592 ' O ' ' HG3' ' A' ' 414' ' ' ARG . 25.1 t -63.54 -59.82 4.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.687 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 3.5 pp -65.14 -23.75 67.22 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 122.054 -0.404 . . . . 0.0 111.032 -178.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . 0.5 ' N ' HD12 ' A' ' 412' ' ' LEU . 11.8 t-160 -63.01 -41.15 99.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.776 173.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 414' ' ' ARG . . . . . 0.592 ' HG3' ' O ' ' A' ' 411' ' ' SER . 5.5 ppt_? -81.87 -10.17 59.38 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.848 -177.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 415' ' ' ASP . . . . . 0.609 ' HB2' ' HG2' ' A' ' 425' ' ' LYS . 42.7 m-20 -78.53 -3.32 43.06 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.221 172.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--N 1.327 -0.397 0 CA-C-O 121.184 0.516 . . . . 0.0 110.386 176.009 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . 0.631 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 10.0 t70 . . . . . 0 C--O 1.233 0.222 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 7.0 mp -94.0 -27.75 16.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.036 0.446 . . . . 0.0 110.467 -176.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 424' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 428' ' ' ARG . 28.0 t -65.67 -50.16 65.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.709 -174.48 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . 0.687 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 10.1 mptt -64.1 -32.1 73.53 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.562 -176.201 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 426' ' ' GLU . . . . . 0.713 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 38.1 tt0 -78.84 -48.5 14.61 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.076 -174.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -63.96 -29.82 70.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.273 176.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 428' ' ' ARG . . . . . 0.538 ' HA ' ' HB3' ' A' ' 431' ' ' GLU . 70.8 mtt180 -85.26 -26.93 26.35 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -177.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.713 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 3.9 pp -63.95 -37.41 87.32 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 119.573 -0.851 . . . . 0.0 108.776 172.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -78.82 -30.27 45.23 Favored 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.2 177.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.538 ' HB3' ' HA ' ' A' ' 428' ' ' ARG . 37.0 tt0 -62.09 -55.54 27.93 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.564 178.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 19.9 m -68.22 -27.65 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.834 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . 0.407 ' HA ' ' HG ' ' A' ' 436' ' ' LEU . 35.7 tt0 -69.41 -44.0 72.28 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.613 179.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 434' ' ' ARG . . . . . 0.515 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 20.3 ptt180 -68.37 -26.76 65.74 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 178.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 435' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 431' ' ' GLU . 81.0 mt -73.21 -54.88 14.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.693 175.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . 0.591 HD12 ' N ' ' A' ' 437' ' ' THR . 4.3 pp -60.53 -33.86 73.26 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.776 0.322 . . . . 0.0 111.222 -178.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . 0.68 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 98.1 m -74.06 -51.41 15.86 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.767 179.596 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -58.99 -43.03 91.38 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.837 0.351 . . . . 0.0 110.673 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 439' ' ' LEU . . . . . 0.474 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 39.7 tp -62.06 -53.13 59.83 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.874 -177.229 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 440' ' ' LYS . . . . . 0.68 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 62.3 pttt -62.44 -34.25 76.42 Favored 'General case' 0 CA--C 1.521 -0.165 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.031 -177.093 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 441' ' ' ARG . . . . . 0.553 ' HG2' ' O ' ' A' ' 437' ' ' THR . 31.0 mmm180 -67.29 -52.19 43.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.825 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 18.1 mttp -64.23 -20.11 65.82 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -178.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 78.9 mt . . . . . 0 C--N 1.327 -0.407 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -178.64 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 . . . . . 0 C--O 1.233 0.199 0 CA-C-O 121.109 0.481 . . . . 0.0 109.871 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -66.22 -17.01 64.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.619 174.236 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.47 -57.27 17.29 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.826 179.898 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.555 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -70.83 -36.27 63.73 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 178.631 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . 0.687 ' HA ' ' HE2' ' A' ' 399' ' ' LYS . 0.1 OUTLIER -56.43 -57.03 14.05 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -176.052 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -72.21 -36.92 69.31 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.976 0.417 . . . . 0.0 111.182 -178.272 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 401' ' ' GLU . . . . . 0.521 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 33.3 mm-40 -69.56 -37.42 77.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.725 179.935 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 402' ' ' ILE . . . . . 0.593 HG22 ' O ' ' A' ' 399' ' ' LYS . 13.7 tt -67.48 -28.87 43.6 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.374 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 -179.745 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.551 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 81.2 mtp180 -61.2 -45.78 93.18 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 171.928 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -64.89 -45.84 84.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.723 175.716 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 405' ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 48.1 mt-30 -61.77 -54.24 45.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.966 -178.298 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . 0.473 ' HG3' HG12 ' A' ' 402' ' ' ILE . 45.1 mt-10 -67.16 -22.04 65.78 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.785 0.326 . . . . 0.0 111.102 -178.433 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.551 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 4.3 t80 -64.1 -55.81 19.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.792 176.661 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . 0.52 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.3 pp -72.81 -28.4 62.54 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 178.096 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 409' ' ' LEU . . . . . 0.45 ' N ' HD12 ' A' ' 408' ' ' LEU . 6.9 tt -58.81 -53.18 61.29 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 176.417 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 410' ' ' ASN . . . . . 0.505 HD21 ' NH1' ' A' ' 414' ' ' ARG . 7.6 t30 -58.71 -38.73 78.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.844 177.767 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 11.0 t -61.59 -61.63 2.38 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.825 179.803 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.601 ' HA ' ' OD2' ' A' ' 415' ' ' ASP . 4.3 pp -68.0 -21.42 65.04 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 120.896 0.379 . . . . 0.0 111.258 -177.854 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 18.3 t-160 -66.93 -32.85 74.38 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 174.21 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 414' ' ' ARG . . . . . 0.505 ' NH1' HD21 ' A' ' 410' ' ' ASN . 74.9 mtt180 -86.37 -12.39 49.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.269 179.728 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 415' ' ' ASP . . . . . 0.601 ' OD2' ' HA ' ' A' ' 412' ' ' LEU . 7.2 m-20 -65.69 -20.83 66.44 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.74 0.305 . . . . 0.0 110.601 170.217 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 74.8 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.445 179.6 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 11.4 t70 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -103.64 -32.0 9.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.94 0.4 . . . . 0.0 110.617 -178.856 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 424' ' ' SER . . . . . 0.517 ' O ' ' HB2' ' A' ' 428' ' ' ARG . 33.1 t -68.63 -44.56 73.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.784 -175.574 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . 0.441 ' CG ' ' HB2' ' A' ' 412' ' ' LEU . 0.0 OUTLIER -65.16 -35.63 81.69 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.574 -177.689 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 426' ' ' GLU . . . . . 0.668 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 11.5 tp10 -64.52 -54.37 33.42 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.279 0.561 . . . . 0.0 110.073 -178.734 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -63.43 -26.29 68.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.582 176.839 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 428' ' ' ARG . . . . . 0.553 ' HA ' ' HE ' ' A' ' 428' ' ' ARG . 0.3 OUTLIER -74.29 -43.17 57.92 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.764 -177.381 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.668 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.5 pp -63.95 -34.87 78.95 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.398 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 430' ' ' TRP . . . . . 0.419 ' N ' HD12 ' A' ' 429' ' ' LEU . 2.7 t90 -74.32 -30.45 62.05 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 120.188 -0.605 . . . . 0.0 110.374 178.003 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.477 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 9.5 tp10 -61.57 -58.14 9.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.199 0.523 . . . . 0.0 109.901 176.529 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.41 ' CG2' ' HB3' ' A' ' 405' ' ' GLN . 7.7 p -63.8 -33.94 65.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.931 -179.594 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -64.21 -47.53 79.39 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-O 120.878 0.371 . . . . 0.0 110.609 179.811 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 434' ' ' ARG . . . . . 0.477 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 36.5 ptt180 -68.83 -24.9 64.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.03 -175.665 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 435' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 431' ' ' GLU . 80.5 mt -73.75 -56.35 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.516 0.198 . . . . 0.0 110.798 176.626 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . 0.495 HD12 ' N ' ' A' ' 437' ' ' THR . 4.3 pp -60.91 -33.27 72.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.022 -178.911 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . 0.727 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 76.4 m -70.87 -50.62 33.13 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.621 0.248 . . . . 0.0 111.047 178.744 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.22 -41.32 96.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.842 0.353 . . . . 0.0 111.053 -177.476 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 439' ' ' LEU . . . . . 0.552 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 41.9 tp -63.64 -53.16 55.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.377 -177.091 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 440' ' ' LYS . . . . . 0.727 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 60.0 pttt -63.21 -30.11 71.32 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.084 0.469 . . . . 0.0 111.091 -177.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -73.27 -46.25 51.0 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.425 -179.303 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 442' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 439' ' ' LEU . 0.0 OUTLIER -73.8 -10.54 59.78 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.376 -0.53 . . . . 0.0 111.338 179.699 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 69.4 mt . . . . . 0 C--N 1.327 -0.374 0 CA-C-O 120.654 0.264 . . . . 0.0 111.203 176.043 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . 0.456 ' O ' ' HB2' ' A' ' 399' ' ' LYS . 15.7 mm-40 . . . . . 0 CA--C 1.519 -0.219 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -65.56 -19.58 65.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.489 174.32 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.47 -56.17 21.26 Favored Glycine 0 N--CA 1.45 -0.394 0 N-CA-C 111.582 -0.607 . . . . 0.0 111.582 178.316 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.525 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -71.86 -32.52 44.83 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.716 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 175.451 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' A' ' 395' ' ' GLN . 7.3 tppt? -56.76 -48.57 77.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.676 0.274 . . . . 0.0 110.956 -178.911 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' A' ' 404' ' ' ARG . 39.7 tt0 -67.63 -45.24 75.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.848 0.356 . . . . 0.0 110.781 178.28 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -64.49 -43.91 92.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.0 -0.546 . . . . 0.0 112.03 -179.161 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 402' ' ' ILE . . . . . 0.525 HD12 HD11 ' A' ' 398' ' ' ILE . 13.8 tt -65.28 -30.67 50.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 -177.686 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.583 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 97.3 mtt180 -60.3 -51.55 69.07 Favored 'General case' 0 C--O 1.225 -0.205 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 172.252 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . 0.605 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 68.2 mtp180 -63.44 -50.45 69.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.556 -179.91 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 405' ' ' GLN . . . . . 0.45 ' O ' ' HB2' ' A' ' 409' ' ' LEU . 80.5 mt-30 -66.54 -43.74 84.31 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.284 -173.584 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -74.62 -24.43 58.85 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 119.832 -0.747 . . . . 0.0 110.581 178.429 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.583 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.6 t80 -66.74 -53.44 33.24 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 175.887 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' A' ' 404' ' ' ARG . 3.1 pp -70.55 -30.86 67.69 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.008 179.293 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 409' ' ' LEU . . . . . 0.534 HD12 HG23 ' A' ' 432' ' ' VAL . 7.3 tt -60.57 -50.02 75.21 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 175.713 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -58.6 -42.69 88.69 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.155 178.315 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . 0.595 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 27.9 m -65.87 -53.91 33.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.129 -179.263 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.861 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 4.4 pp -66.05 -21.71 66.39 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.17 0.51 . . . . 0.0 110.548 -179.422 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 13.7 t-160 -65.79 -39.47 90.98 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.428 175.349 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 414' ' ' ARG . . . . . 0.595 ' HG2' ' O ' ' A' ' 411' ' ' SER . 17.7 ptt180 -76.67 -16.88 59.42 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.396 -0.521 . . . . 0.0 110.803 179.069 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 415' ' ' ASP . . . . . 0.583 ' OD2' ' HA ' ' A' ' 412' ' ' LEU . 64.2 m-20 -63.88 -25.86 68.35 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.575 0.226 . . . . 0.0 111.093 172.069 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.441 HD21 ' HB2' ' A' ' 425' ' ' LYS . 64.8 mt . . . . . 0 C--N 1.326 -0.421 0 CA-C-O 121.167 0.508 . . . . 0.0 110.986 -179.592 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . 0.485 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 11.6 t70 . . . . . 0 N--CA 1.455 -0.214 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 88.3 mt -98.09 -8.01 28.53 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.947 -179.793 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 36.9 t -73.96 -51.53 15.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.9 -177.808 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . 0.861 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 3.5 mptp? -58.54 -36.96 74.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.047 179.105 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 426' ' ' GLU . . . . . 0.652 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 8.7 tp10 -62.7 -53.72 50.14 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.283 -177.866 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -64.45 -26.2 68.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.837 177.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -78.06 -37.95 45.51 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.99 -177.835 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.84 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.2 pp -64.56 -39.29 93.48 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 120.32 -0.552 . . . . 0.0 109.663 177.686 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 430' ' ' TRP . . . . . 0.402 ' N ' HD12 ' A' ' 429' ' ' LEU . 2.0 t90 -76.58 -25.38 53.93 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 120.306 -0.558 . . . . 0.0 110.377 178.531 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.444 ' O ' HG13 ' A' ' 435' ' ' ILE . 38.7 tt0 -61.91 -61.94 2.14 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.534 HG23 HD12 ' A' ' 409' ' ' LEU . 34.7 m -66.95 -30.15 48.64 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.307 -178.047 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -62.58 -46.6 87.58 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 121.141 0.496 . . . . 0.0 110.355 -178.588 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 434' ' ' ARG . . . . . . . . . . . . . 40.4 ptt180 -77.13 -25.05 51.67 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.457 -178.889 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 435' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 431' ' ' GLU . 76.2 mt -68.89 -53.3 27.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.96 175.584 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . 0.523 HD22 HG13 ' A' ' 402' ' ' ILE . 4.5 pp -61.7 -30.32 70.67 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.753 0.311 . . . . 0.0 110.772 179.2 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . 0.87 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 93.2 m -68.93 -56.74 6.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.778 176.487 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . 0.541 ' O ' ' HD2' ' A' ' 442' ' ' LYS . . . -61.67 -35.95 79.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.081 -179.386 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 31.3 tp -60.85 -53.04 62.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.024 -178.059 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 440' ' ' LYS . . . . . 0.87 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 53.2 pttt -62.84 -25.11 68.11 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.849 -0.341 . . . . 0.0 110.884 -179.572 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 441' ' ' ARG . . . . . 0.608 ' HA ' ' HE ' ' A' ' 441' ' ' ARG . 0.8 OUTLIER -63.05 -57.62 10.04 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.615 177.545 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 442' ' ' LYS . . . . . 0.541 ' HD2' ' O ' ' A' ' 438' ' ' ALA . 0.0 OUTLIER -75.91 -9.76 58.87 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.315 -0.554 . . . . 0.0 111.653 -177.231 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 74.0 mt . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.57 177.862 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 . . . . . 0 C--O 1.234 0.253 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -70.96 -14.78 62.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.796 175.35 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.82 -63.09 4.25 Favored Glycine 0 N--CA 1.442 -0.939 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.176 178.309 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.614 ' HB ' HD23 ' A' ' 439' ' ' LEU . 9.1 tp -66.77 -22.84 30.21 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.735 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 178.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . 0.544 ' O ' HG22 ' A' ' 402' ' ' ILE . 1.6 tppp? -59.51 -55.55 33.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.115 0.483 . . . . 0.0 110.431 175.234 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -73.49 -39.03 65.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.456 179.478 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 401' ' ' GLU . . . . . 0.489 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 46.3 mt-10 -62.83 -39.47 94.43 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.961 178.314 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 402' ' ' ILE . . . . . 0.546 ' HB ' ' O ' ' A' ' 398' ' ' ILE . 9.1 tt -68.93 -29.59 43.88 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.543 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 -178.356 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.59 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 74.3 mtp180 -58.71 -46.05 88.2 Favored 'General case' 0 C--O 1.228 -0.073 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 171.554 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 -67.67 -46.38 72.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.147 178.339 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 405' ' ' GLN . . . . . 0.489 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 45.4 mt-30 -67.13 -49.96 63.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.674 -176.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . 0.462 ' HG2' HG12 ' A' ' 402' ' ' ILE . 7.3 mm-40 -61.88 -29.18 70.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.897 0.379 . . . . 0.0 110.062 177.883 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.59 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 4.2 t80 -62.44 -54.23 43.25 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.113 179.386 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . 0.593 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.3 pp -77.35 -27.35 52.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.382 -179.33 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 409' ' ' LEU . . . . . 0.538 ' O ' ' HB2' ' A' ' 413' ' ' HIS . 5.0 tt -61.48 -45.08 95.75 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 175.339 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 410' ' ' ASN . . . . . 0.446 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 14.2 t-20 -59.4 -47.36 85.73 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.376 177.581 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . 0.434 ' HA ' ' HG2' ' A' ' 414' ' ' ARG . 23.8 p -65.85 -48.76 70.52 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -177.049 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.739 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 4.4 pp -69.1 -20.66 64.07 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 119.892 -0.723 . . . . 0.0 110.973 177.056 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . 0.538 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 17.5 t-160 -73.76 -42.12 61.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.218 176.046 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 414' ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' A' ' 410' ' ' ASN . 13.6 ptm180 -76.69 -8.86 58.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.842 0.353 . . . . 0.0 111.104 179.59 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -67.45 -21.79 65.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.997 169.859 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.49 HD12 ' HD2' ' A' ' 413' ' ' HIS . 54.6 mt . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.774 -178.631 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . 0.767 ' HB3' ' HB2' ' A' ' 425' ' ' LYS . 2.6 m-20 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.597 0.236 . . . . 0.0 110.548 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -81.59 -29.75 33.21 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 176.328 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 424' ' ' SER . . . . . 0.549 ' O ' ' HG2' ' A' ' 428' ' ' ARG . 70.9 m -70.13 -18.54 63.23 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.021 178.266 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . 0.767 ' HB2' ' HB3' ' A' ' 422' ' ' ASP . 0.9 OUTLIER -64.08 -33.33 75.51 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.243 0.544 . . . . 0.0 109.923 174.27 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 426' ' ' GLU . . . . . 0.661 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 44.5 tt0 -75.25 -39.12 60.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.467 178.577 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . 0.451 ' OE2' ' HA ' ' A' ' 424' ' ' SER . 34.6 mt-10 -60.25 -31.38 70.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.817 172.815 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 428' ' ' ARG . . . . . 0.549 ' HG2' ' O ' ' A' ' 424' ' ' SER . 12.3 mmm180 -74.07 -45.44 49.37 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.278 -178.271 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.661 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.3 pp -60.8 -31.81 71.19 Favored 'General case' 0 C--O 1.224 -0.26 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.319 179.248 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -72.05 -37.11 69.75 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 120.743 0.306 . . . . 0.0 110.989 179.805 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 5.5 tp10 -62.63 -54.54 38.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.451 0.643 . . . . 0.0 109.548 179.721 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 8.2 p -66.72 -32.84 59.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.982 -179.378 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . 0.551 ' HB2' ' O ' ' A' ' 429' ' ' LEU . 5.2 tp-100 -59.43 -50.8 72.54 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.399 0.619 . . . . 0.0 109.966 179.216 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 434' ' ' ARG . . . . . 0.493 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 4.5 ptm180 -64.59 -33.61 76.32 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.666 -174.809 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 435' ' ' ILE . . . . . . . . . . . . . 83.5 mt -68.4 -56.06 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.019 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . 0.489 HD12 ' N ' ' A' ' 437' ' ' THR . 4.5 pp -64.1 -34.21 77.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.811 -177.848 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . 0.489 ' N ' HD12 ' A' ' 436' ' ' LEU . 84.0 m -67.29 -48.32 68.0 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.695 -0.23 . . . . 0.0 110.737 178.313 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.94 -43.38 98.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.805 0.336 . . . . 0.0 111.075 -178.072 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 439' ' ' LEU . . . . . 0.614 HD23 ' HB ' ' A' ' 398' ' ' ILE . 36.4 tp -72.32 -50.23 28.47 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.48 -175.776 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 440' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 436' ' ' LEU . 62.1 pttt -66.9 -28.19 68.11 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.651 -173.689 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 -82.36 -38.5 24.09 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.57 0.224 . . . . 0.0 111.088 -179.496 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -73.58 -27.64 61.42 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.797 177.565 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . 0.508 ' HB2' ' O ' ' A' ' 439' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.991 -179.886 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 . . . . . 0 N--CA 1.455 -0.214 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . 0.416 ' HA ' ' HB2' ' A' ' 399' ' ' LYS . . . -70.63 -16.38 62.82 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.237 172.283 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.23 -55.03 28.45 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.7 176.875 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.577 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -67.32 -33.88 65.47 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.846 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.007 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . 0.64 ' O ' ' HG3' ' A' ' 403' ' ' ARG . 0.2 OUTLIER -58.86 -44.52 91.05 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.294 178.568 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -63.82 -57.1 10.92 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-O 121.195 0.521 . . . . 0.0 110.102 175.27 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 401' ' ' GLU . . . . . 0.453 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 47.6 mt-10 -55.95 -49.27 73.99 Favored 'General case' 0 C--O 1.213 -0.839 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.919 -178.208 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 402' ' ' ILE . . . . . 0.577 HD12 HD11 ' A' ' 398' ' ' ILE . 12.2 tt -60.08 -33.99 55.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -173.755 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.64 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 69.8 mtm180 -59.77 -47.68 84.7 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 120.269 -0.572 . . . . 0.0 109.457 174.619 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -77.93 -30.61 50.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.281 -178.43 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 405' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 98.5 mt-30 -71.78 -46.79 57.18 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.553 179.355 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -69.96 -22.78 63.13 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.534 -0.466 . . . . 0.0 109.916 176.333 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.517 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.9 t80 -63.69 -54.23 38.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.446 174.353 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . 0.502 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.3 pp -71.08 -31.17 67.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.057 177.683 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 409' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 408' ' ' LEU . 6.5 tt -59.14 -50.94 72.13 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 175.795 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 410' ' ' ASN . . . . . 0.486 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 8.4 t30 -61.4 -41.69 97.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.242 177.184 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 39.9 t -57.97 -58.15 9.68 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.062 179.116 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.629 ' O ' ' HB2' ' A' ' 415' ' ' ASP . 4.5 pp -69.52 -18.73 63.7 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.988 -179.813 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -75.03 -32.92 61.69 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 173.877 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 414' ' ' ARG . . . . . 0.486 ' HG2' ' O ' ' A' ' 410' ' ' ASN . 36.3 mmt180 -63.35 -30.72 71.8 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.292 176.525 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 415' ' ' ASP . . . . . 0.629 ' HB2' ' O ' ' A' ' 412' ' ' LEU . 0.4 OUTLIER -45.03 -47.39 11.64 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.955 174.501 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.496 HD22 ' HB2' ' A' ' 425' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--N 1.323 -0.544 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.336 -174.84 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . 0.46 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 9.9 t0 . . . . . 0 C--O 1.233 0.196 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 92.1 mt -85.92 -20.0 29.66 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.165 -176.795 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 16.1 t -67.06 -46.89 72.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.51 -177.932 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . 0.496 ' HB2' HD22 ' A' ' 416' ' ' LEU . 15.9 mmtm -71.81 -28.18 63.42 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.805 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 426' ' ' GLU . . . . . 0.647 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 34.9 tt0 -66.48 -49.22 67.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.383 -178.526 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.32 -24.14 62.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.151 0.5 . . . . 0.0 110.035 177.649 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -76.68 -44.95 31.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.428 -178.685 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.2 pp -59.99 -34.2 73.0 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.084 0.469 . . . . 0.0 109.751 177.267 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -72.53 -29.47 63.62 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.181 179.806 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.63 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 37.3 tt0 -77.09 -44.41 30.66 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.864 179.627 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.442 HG12 ' HA ' ' A' ' 429' ' ' LEU . 10.8 p -68.63 -28.82 41.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 C-N-CA 120.327 -0.549 . . . . 0.0 109.925 177.425 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -67.38 -45.74 75.36 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.362 178.471 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 434' ' ' ARG . . . . . 0.63 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 35.8 ptt180 -63.98 -32.37 73.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.566 -177.945 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 435' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 431' ' ' GLU . 73.9 mt -66.82 -55.42 18.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.739 -0.21 . . . . 0.0 111.14 178.623 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . 0.42 HD12 ' N ' ' A' ' 437' ' ' THR . 4.5 pp -62.38 -32.02 72.77 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.786 0.327 . . . . 0.0 110.67 -179.008 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . 0.805 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 70.6 m -68.79 -56.25 8.62 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.362 178.052 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -62.34 -42.27 99.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.077 -176.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 439' ' ' LEU . . . . . 0.517 ' O ' ' HB2' ' A' ' 443' ' ' LEU . 38.3 tp -57.33 -57.5 12.36 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.388 -178.494 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 440' ' ' LYS . . . . . 0.805 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 59.3 pttt -61.17 -35.8 78.09 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.83 0.348 . . . . 0.0 111.569 -175.044 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 441' ' ' ARG . . . . . 0.486 ' HG2' ' O ' ' A' ' 437' ' ' THR . 10.4 mmm180 -74.05 -50.02 21.55 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -177.684 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -75.01 -9.65 58.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.312 -178.375 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . 0.517 ' HB2' ' O ' ' A' ' 439' ' ' LEU . 9.5 tp . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 121.167 0.508 . . . . 0.0 110.599 177.682 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 . . . . . 0 C--O 1.238 0.486 0 CA-C-O 121.411 0.624 . . . . 0.0 109.607 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -69.44 -16.29 63.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.421 176.347 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.7 -60.27 7.59 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.655 178.899 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.546 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -63.15 -36.78 77.36 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.665 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.449 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . 0.641 ' O ' ' HG3' ' A' ' 403' ' ' ARG . 0.9 OUTLIER -58.64 -50.47 73.74 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 120.886 -0.326 . . . . 0.0 111.687 -179.404 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -69.35 -47.83 63.15 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-O 121.1 0.476 . . . . 0.0 110.448 179.777 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 401' ' ' GLU . . . . . 0.444 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 48.7 mt-10 -60.14 -44.34 95.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.962 -179.085 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 402' ' ' ILE . . . . . 0.546 HD12 HD11 ' A' ' 398' ' ' ILE . 12.1 tt -66.37 -30.35 49.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.87 -176.664 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.641 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 76.9 mtt180 -56.47 -51.04 69.94 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 173.739 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . 0.442 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 13.3 mmt180 -75.24 -39.57 59.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.764 -176.568 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 405' ' ' GLN . . . . . 0.542 ' NE2' ' HB3' ' A' ' 436' ' ' LEU . 27.6 mt-30 -68.07 -43.09 79.41 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -178.351 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . 0.504 ' HA ' ' HB3' ' A' ' 409' ' ' LEU . 73.1 mt-10 -76.65 -19.18 58.06 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.162 176.911 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.584 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 4.3 t80 -63.72 -59.03 5.1 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 173.114 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . 0.727 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.0 pp -68.35 -28.43 67.12 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.676 179.052 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 409' ' ' LEU . . . . . 0.504 ' HB3' ' HA ' ' A' ' 406' ' ' GLU . 51.7 tp -60.17 -44.72 94.8 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 174.718 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -66.46 -35.66 80.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.318 176.845 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 47.3 m -63.68 -58.07 8.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.795 177.644 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.727 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 2.0 pp -71.25 -11.16 60.77 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 -177.141 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . 0.469 ' CD2' HD22 ' A' ' 429' ' ' LEU . 7.1 m170 -78.73 -30.94 46.12 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.069 0.461 . . . . 0.0 109.879 171.355 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 -82.97 -7.65 59.64 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.167 0.508 . . . . 0.0 110.028 173.051 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 415' ' ' ASP . . . . . 0.455 ' HB3' ' HD3' ' A' ' 425' ' ' LYS . 84.9 m-20 -83.01 -4.8 58.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.284 169.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 412' ' ' LEU . 97.6 mt . . . . . 0 C--N 1.328 -0.364 0 CA-C-O 120.798 0.332 . . . . 0.0 111.004 -177.535 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 C--O 1.233 0.206 0 CA-C-O 121.333 0.587 . . . . 0.0 111.484 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 423' ' ' LEU . 4.2 mm? -81.44 -17.13 49.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.63 -179.87 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 14.1 t -61.7 -42.46 98.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.101 0.477 . . . . 0.0 110.116 177.753 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . 0.455 ' HD3' ' HB3' ' A' ' 415' ' ' ASP . 54.1 mttm -70.41 -29.61 66.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.49 178.4 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 426' ' ' GLU . . . . . 0.683 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 9.6 tp10 -65.38 -53.14 47.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.245 -178.093 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -66.22 -29.83 70.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.437 177.822 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -70.68 -44.44 66.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.674 -177.409 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.683 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 3.9 pp -63.26 -37.92 89.14 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.465 -178.579 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -70.04 -34.73 73.62 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.788 -178.624 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.617 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 5.5 tp10 -62.21 -51.81 66.3 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.398 0.618 . . . . 0.0 109.935 178.539 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.416 HG21 HD11 ' A' ' 408' ' ' LEU . 14.7 p -69.83 -34.17 59.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.572 -179.442 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -64.3 -48.77 74.38 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.018 179.617 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 434' ' ' ARG . . . . . 0.617 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 7.4 ptm180 -60.4 -36.65 78.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.41 -175.626 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 435' ' ' ILE . . . . . . . . . . . . . 86.7 mt -67.71 -57.56 9.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.312 179.412 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . 0.542 ' HB3' ' NE2' ' A' ' 405' ' ' GLN . 4.3 pp -59.98 -34.35 73.19 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 121.154 -0.218 . . . . 0.0 110.616 -178.169 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . 0.737 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 77.3 m -71.87 -54.93 8.55 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.202 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -65.26 -35.93 82.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.714 0.292 . . . . 0.0 111.1 -174.695 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 439' ' ' LEU . . . . . 0.536 HD23 ' HB ' ' A' ' 398' ' ' ILE . 31.9 tp -66.42 -52.92 41.55 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.411 -178.352 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 440' ' ' LYS . . . . . 0.737 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 59.9 pttt -64.66 -29.74 70.74 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 120.576 -0.449 . . . . 0.0 111.098 -176.376 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 441' ' ' ARG . . . . . 0.537 ' HG2' ' O ' ' A' ' 437' ' ' THR . 38.6 mmt180 -73.51 -46.0 50.49 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.413 179.6 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -75.97 -12.87 60.22 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.84 0.352 . . . . 0.0 111.3 -179.133 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 22.9 tp . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.988 -179.459 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . 0.629 ' O ' ' HD3' ' A' ' 399' ' ' LYS . 30.3 mm-40 . . . . . 0 N--CA 1.448 -0.539 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -62.68 -25.26 68.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.689 173.727 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.58 -60.1 7.42 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.194 -0.912 . . . . 0.0 112.237 179.376 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.519 ' HB ' HD23 ' A' ' 439' ' ' LEU . 0.0 OUTLIER -64.73 -32.88 59.9 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.578 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 -177.271 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . 0.629 ' HD3' ' O ' ' A' ' 395' ' ' GLN . 2.1 mptm? -62.42 -49.4 75.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.075 0.464 . . . . 0.0 110.783 179.032 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -67.96 -47.0 69.83 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-O 121.454 0.645 . . . . 0.0 110.106 179.02 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -62.36 -46.08 90.26 Favored 'General case' 0 C--O 1.214 -0.798 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.053 -179.69 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 402' ' ' ILE . . . . . 0.827 HG13 HD13 ' A' ' 436' ' ' LEU . 11.6 tt -58.82 -28.34 37.5 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.336 0 CA-C-N 117.837 0.29 . . . . 0.0 110.42 -178.379 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.624 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 18.9 mtp180 -60.36 -57.25 13.58 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.548 -0.461 . . . . 0.0 109.829 173.235 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . 0.461 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 31.7 ptt180 -75.18 -21.22 58.89 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.605 -178.056 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 405' ' ' GLN . . . . . 0.522 ' HG3' HD21 ' A' ' 436' ' ' LEU . 11.6 mm100 -79.04 -53.12 7.33 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.729 -0.214 . . . . 0.0 111.043 -179.948 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . 0.436 ' O ' ' HB3' ' A' ' 410' ' ' ASN . 8.7 mm-40 -61.56 -24.93 66.99 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 175.087 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.624 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 7.0 t80 -60.56 -59.12 5.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.733 -1.122 . . . . 0.0 110.348 175.924 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . 0.531 HD12 ' N ' ' A' ' 409' ' ' LEU . 2.4 pp -75.49 -28.69 59.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.936 -179.086 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 409' ' ' LEU . . . . . 0.531 ' N ' HD12 ' A' ' 408' ' ' LEU . 7.4 tt -61.87 -48.64 79.61 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 176.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 410' ' ' ASN . . . . . 0.493 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 0.0 OUTLIER -61.86 -39.24 91.2 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 177.952 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 35.4 t -60.95 -58.9 6.48 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.565 179.825 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.721 ' HB2' ' HE3' ' A' ' 425' ' ' LYS . 4.4 pp -67.92 -19.85 65.03 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.044 -178.779 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . 0.48 ' HD2' HD12 ' A' ' 416' ' ' LEU . 19.6 t-160 -74.13 -28.64 61.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.067 0.46 . . . . 0.0 109.974 175.438 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 414' ' ' ARG . . . . . 0.493 ' HG2' ' O ' ' A' ' 410' ' ' ASN . 13.5 mmt180 -71.23 -29.83 65.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.98 175.584 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 415' ' ' ASP . . . . . 0.45 ' CB ' ' HE2' ' A' ' 425' ' ' LYS . 34.6 m-20 -68.83 4.08 1.65 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.849 178.461 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.617 HD21 ' HB2' ' A' ' 425' ' ' LYS . 83.8 mt . . . . . 0 C--N 1.319 -0.729 0 CA-C-O 120.891 0.377 . . . . 0.0 110.702 176.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 11.2 t70 . . . . . 0 CA--C 1.521 -0.154 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.8 mp -113.04 -12.39 13.21 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.312 -177.625 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 424' ' ' SER . . . . . 0.42 ' O ' ' HB2' ' A' ' 428' ' ' ARG . 42.7 m -86.95 -31.87 20.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.608 0.242 . . . . 0.0 110.933 -174.256 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . 0.721 ' HE3' ' HB2' ' A' ' 412' ' ' LEU . 21.6 mmmt -70.12 -29.91 66.97 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.758 -0.831 . . . . 0.0 108.758 175.102 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 426' ' ' GLU . . . . . 0.643 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 0.5 OUTLIER -66.97 -50.88 60.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.258 179.194 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -60.82 -29.89 69.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.587 175.684 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 428' ' ' ARG . . . . . 0.447 ' O ' HG23 ' A' ' 432' ' ' VAL . 34.9 ttm-85 -74.34 -46.76 38.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.727 -174.913 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.689 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.1 pp -61.83 -33.15 73.62 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 120.796 0.332 . . . . 0.0 110.307 178.605 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -68.44 -36.49 79.1 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 120.699 -0.401 . . . . 0.0 110.203 -179.371 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.63 ' HA ' ' HG2' ' A' ' 434' ' ' ARG . 26.2 tt0 -67.77 -43.65 79.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.048 176.593 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 428' ' ' ARG . 58.2 t -57.48 -45.62 85.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.893 0.377 . . . . 0.0 110.002 176.76 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -64.28 -49.94 69.88 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.776 -179.267 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 434' ' ' ARG . . . . . 0.63 ' HG2' ' HA ' ' A' ' 431' ' ' GLU . 18.6 ptt180 -63.12 -33.2 74.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.196 -175.46 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 435' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 431' ' ' GLU . 68.2 mt -68.03 -48.06 76.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.831 176.703 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . 0.827 HD13 HG13 ' A' ' 402' ' ' ILE . 96.0 mt -58.7 -45.76 88.78 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 120.72 0.295 . . . . 0.0 110.594 178.95 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . 0.655 ' O ' ' HG2' ' A' ' 441' ' ' ARG . 53.9 m -58.63 -62.71 1.66 Allowed 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.583 176.714 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . 0.602 ' O ' ' HD3' ' A' ' 442' ' ' LYS . . . -60.04 -32.61 71.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.588 -174.111 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 439' ' ' LEU . . . . . 0.519 HD23 ' HB ' ' A' ' 398' ' ' ILE . 25.1 tp -63.08 -61.75 2.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.743 -176.297 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 440' ' ' LYS . . . . . 0.455 ' HB3' HG21 ' A' ' 398' ' ' ILE . 60.5 pttt -65.25 -37.85 88.49 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -173.295 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 441' ' ' ARG . . . . . 0.655 ' HG2' ' O ' ' A' ' 437' ' ' THR . 13.7 mmm180 -59.4 -52.9 63.64 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.956 0.408 . . . . 0.0 110.675 -177.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 442' ' ' LYS . . . . . 0.602 ' HD3' ' O ' ' A' ' 438' ' ' ALA . 3.8 mptp? -76.36 -36.61 58.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.076 -177.516 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 439' ' ' LEU . 11.1 mp . . . . . 0 C--N 1.326 -0.428 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -175.923 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 . . . . . 0 C--O 1.235 0.339 0 CA-C-O 121.329 0.585 . . . . 0.0 109.526 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -63.5 -17.29 62.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.879 174.68 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.5 -57.41 13.0 Favored Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.654 179.632 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.732 HD13 HD23 ' A' ' 439' ' ' LEU . 6.2 tp -69.86 -22.0 24.5 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.503 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 178.299 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . 0.44 ' HD3' ' HA ' ' A' ' 399' ' ' LYS . 15.8 tppt? -58.77 -58.42 8.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.605 0.24 . . . . 0.0 110.619 174.495 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -69.98 -38.48 76.06 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 120.986 0.422 . . . . 0.0 110.974 -179.946 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 401' ' ' GLU . . . . . 0.577 ' HB2' ' HA ' ' A' ' 398' ' ' ILE . 59.4 mm-40 -55.61 -49.27 73.25 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.212 174.438 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 402' ' ' ILE . . . . . 0.721 ' HB ' ' O ' ' A' ' 398' ' ' ILE . 0.3 OUTLIER -61.89 -30.26 48.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.371 -176.535 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.572 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 57.6 mtt180 -57.77 -53.44 58.13 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 174.122 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 34.5 mtm105 -70.68 -43.24 69.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.497 -179.273 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 405' ' ' GLN . . . . . 0.461 ' NE2' ' HB3' ' A' ' 401' ' ' GLU . 75.5 mt-30 -65.81 -45.17 83.34 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -178.275 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . 0.442 ' HG3' HG12 ' A' ' 402' ' ' ILE . 36.3 mt-10 -75.44 -18.4 59.9 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.627 178.49 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.572 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 4.5 t80 -65.31 -55.74 16.56 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 174.818 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . 0.566 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.8 pp -71.68 -29.09 64.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.769 178.132 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 409' ' ' LEU . . . . . 0.576 ' HA ' HD12 ' A' ' 412' ' ' LEU . 6.4 tt -60.53 -46.9 88.45 Favored 'General case' 0 CA--C 1.523 -0.086 0 N-CA-C 109.03 -0.729 . . . . 0.0 109.03 175.431 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -58.45 -39.94 81.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.952 178.444 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 20.8 m -59.86 -45.97 90.77 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 120.797 0.332 . . . . 0.0 111.204 177.508 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.583 ' HB2' ' HB3' ' A' ' 429' ' ' LEU . 9.3 mt -64.96 -44.97 87.66 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-O 121.985 0.898 . . . . 0.0 109.834 177.037 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -62.89 -38.1 89.57 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.127 -1.397 . . . . 0.0 111.207 -177.304 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 414' ' ' ARG . . . . . 0.492 ' NE ' ' HA ' ' A' ' 414' ' ' ARG . 3.4 mmp_? -82.81 -19.12 38.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.343 -179.468 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -58.56 -41.74 86.33 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.354 0.597 . . . . 0.0 109.89 177.005 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 19.6 mt . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.761 -179.741 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . 0.5 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 16.3 t0 . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . 0.409 HD22 ' N ' ' A' ' 423' ' ' LEU . 2.7 mm? -99.76 -13.15 19.4 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.226 0.536 . . . . 0.0 110.168 -177.186 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 32.7 t -75.37 -39.9 58.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.112 -176.8 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . 0.5 ' HG2' ' OD1' ' A' ' 422' ' ' ASP . 22.9 mmtp -62.89 -33.75 75.96 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.296 178.385 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 426' ' ' GLU . . . . . 0.56 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 0.7 OUTLIER -67.57 -52.93 32.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.822 -176.547 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -62.4 -30.11 70.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.788 177.571 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -77.59 -49.12 15.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.423 -176.289 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.583 ' HB3' ' HB2' ' A' ' 412' ' ' LEU . 4.2 pp -58.63 -34.99 71.8 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.559 176.107 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -74.44 -33.74 63.02 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 120.454 -0.499 . . . . 0.0 111.108 179.47 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.625 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 41.5 tt0 -60.97 -54.49 44.29 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.104 0.478 . . . . 0.0 110.128 178.347 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.497 HG21 HD11 ' A' ' 408' ' ' LEU . 11.9 p -67.49 -33.03 59.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.703 179.397 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -62.95 -47.19 84.29 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.177 179.066 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 434' ' ' ARG . . . . . 0.625 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 4.9 ptm180 -66.33 -28.36 68.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.658 -175.234 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 435' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 431' ' ' GLU . 68.5 mt -70.32 -57.8 7.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.051 176.517 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . 0.618 ' HB2' HG13 ' A' ' 402' ' ' ILE . 4.5 pp -60.6 -31.14 70.32 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.098 -179.817 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . 0.688 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 98.0 m -68.58 -56.48 8.14 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 176.82 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.2 -35.78 78.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.224 -176.427 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 439' ' ' LEU . . . . . 0.732 HD23 HD13 ' A' ' 398' ' ' ILE . 42.9 tp -68.62 -54.35 16.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.018 -177.507 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 440' ' ' LYS . . . . . 0.688 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 56.9 pttt -61.3 -32.52 72.37 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.863 0.363 . . . . 0.0 110.75 -177.311 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 441' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 437' ' ' THR . 42.4 mmt180 -68.13 -61.61 1.78 Allowed 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.38 177.797 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 442' ' ' LYS . . . . . 0.401 ' HD2' ' N ' ' A' ' 442' ' ' LYS . 0.4 OUTLIER -76.43 9.12 2.85 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -176.594 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . 0.629 ' HB2' ' O ' ' A' ' 439' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.323 -0.563 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 172.479 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . 0.615 ' O ' ' HD3' ' A' ' 399' ' ' LYS . 2.1 mm-40 . . . . . 0 N--CA 1.45 -0.445 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -61.32 -28.3 69.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.685 173.757 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.9 -58.26 13.69 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.063 -0.971 . . . . 0.0 112.256 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.777 HD13 HD23 ' A' ' 439' ' ' LEU . 10.7 tp -69.8 -21.29 24.1 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 C-N-CA 120.626 -0.429 . . . . 0.0 110.605 -176.534 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . 0.615 ' HD3' ' O ' ' A' ' 395' ' ' GLN . 1.2 mptm? -67.82 -48.35 66.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.491 0.186 . . . . 0.0 111.013 178.457 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -62.39 -50.27 72.22 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 121.625 0.726 . . . . 0.0 109.912 176.237 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -58.77 -53.07 62.47 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 114.75 -1.113 . . . . 0.0 111.091 -178.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 402' ' ' ILE . . . . . 0.655 HG13 HD13 ' A' ' 436' ' ' LEU . 13.6 tt -60.26 -31.01 47.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -173.495 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.623 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 99.2 mtt180 -59.34 -55.36 35.77 Favored 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 120.46 -0.496 . . . . 0.0 109.895 174.003 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . 0.618 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 20.3 mtm180 -70.25 -38.09 75.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.075 -179.094 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 405' ' ' GLN . . . . . 0.442 ' HB2' ' HA ' ' A' ' 402' ' ' ILE . 13.8 mm100 -64.09 -52.69 58.04 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.473 -177.741 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -71.45 -19.89 62.17 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.512 179.537 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.623 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.4 t80 -67.18 -55.73 12.88 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 174.898 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' A' ' 404' ' ' ARG . 2.7 pp -72.06 -27.86 62.96 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.079 178.777 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 409' ' ' LEU . . . . . 0.5 ' O ' ' HB2' ' A' ' 413' ' ' HIS . 7.1 tt -61.2 -49.85 75.5 Favored 'General case' 0 C--O 1.223 -0.294 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 175.402 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -61.52 -34.51 75.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.476 177.704 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . 0.574 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 40.4 t -67.0 -57.56 6.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.818 178.171 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.82 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 4.5 pp -67.24 -19.82 65.58 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.817 -179.08 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . 0.5 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 15.0 t-160 -69.02 -40.59 78.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.475 175.396 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 414' ' ' ARG . . . . . 0.574 ' HG2' ' O ' ' A' ' 411' ' ' SER . 9.4 ptp85 -75.48 -14.42 60.43 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-O 121.167 0.508 . . . . 0.0 109.812 178.676 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -75.63 -3.7 35.94 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.647 176.716 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 94.6 mt . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.466 179.915 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 13.5 t70 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.9 mp -103.25 -29.63 11.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.783 0.325 . . . . 0.0 110.543 -178.506 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 424' ' ' SER . . . . . 0.506 ' O ' ' HG2' ' A' ' 428' ' ' ARG . 67.5 p -64.52 -48.37 75.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.462 -174.396 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . 0.82 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 0.5 OUTLIER -60.92 -27.07 67.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.004 0.43 . . . . 0.0 111.479 -177.17 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 426' ' ' GLU . . . . . 0.61 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 33.4 tt0 -72.28 -49.23 36.4 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.315 0.579 . . . . 0.0 109.786 -179.057 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -63.47 -33.03 74.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.672 176.46 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 428' ' ' ARG . . . . . 0.523 ' O ' HG23 ' A' ' 432' ' ' VAL . 25.8 mmt180 -74.54 -39.1 62.53 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.304 -175.81 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 3.6 pp -62.62 -37.84 87.87 Favored 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 120.182 -0.607 . . . . 0.0 109.593 177.362 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -73.12 -34.17 65.97 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 120.536 -0.466 . . . . 0.0 109.758 179.478 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -61.03 -47.76 84.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.844 175.162 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.527 ' O ' ' HG ' ' A' ' 436' ' ' LEU . 89.9 t -60.44 -48.66 87.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.414 176.03 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -62.41 -43.38 98.96 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.165 -176.538 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 434' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -68.5 -34.39 75.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.75 -176.17 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 435' ' ' ILE . . . . . . . . . . . . . 70.9 mt -71.22 -46.62 64.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 178.186 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . 0.655 HD13 HG13 ' A' ' 402' ' ' ILE . 98.1 mt -54.33 -55.73 25.5 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.276 175.821 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 29.8 m -58.38 -55.57 33.34 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.514 -177.799 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -56.29 -47.68 78.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.63 0.252 . . . . 0.0 111.247 -176.256 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 439' ' ' LEU . . . . . 0.777 HD23 HD13 ' A' ' 398' ' ' ILE . 36.0 tp -64.99 -56.87 10.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.343 -176.828 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 440' ' ' LYS . . . . . 0.567 ' HB3' HG12 ' A' ' 398' ' ' ILE . 21.6 ptmt -60.61 -34.05 73.65 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.967 0.413 . . . . 0.0 111.639 -174.341 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 441' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 441' ' ' ARG . 15.2 mmt180 -71.64 -45.96 60.46 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.398 -177.173 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -66.85 -21.48 66.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 0.0 111.294 176.144 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 94.0 mt . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.651 -179.173 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -62.53 -22.35 66.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.206 172.041 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.03 -63.53 4.85 Favored Glycine 0 N--CA 1.443 -0.887 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.289 178.065 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.479 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -71.82 -32.75 45.84 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.598 0 CA-C-N 115.688 -0.256 . . . . 0.0 110.62 -179.135 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.15 -43.36 99.0 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.874 -178.219 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 404' ' ' ARG . 37.4 tt0 -72.49 -44.7 61.91 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.341 177.122 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -61.62 -46.31 90.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.727 -179.183 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 402' ' ' ILE . . . . . . . . . . . . . 14.4 tt -65.16 -33.99 67.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 C-N-CA 122.056 0.143 . . . . 0.0 110.783 -177.16 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.597 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 61.9 mtp180 -60.87 -46.72 89.5 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 120.657 -0.417 . . . . 0.0 109.891 175.908 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 400' ' ' GLU . 55.1 mtt180 -71.61 -41.13 69.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.39 -179.711 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 405' ' ' GLN . . . . . 0.439 ' HB3' ' HB ' ' A' ' 432' ' ' VAL . 74.3 mt-30 -69.42 -45.2 69.73 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.71 -176.904 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . 0.542 ' HA ' ' HB3' ' A' ' 409' ' ' LEU . 53.2 mt-10 -73.0 -20.98 60.91 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.504 -0.479 . . . . 0.0 110.533 178.175 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.597 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.5 t80 -66.74 -53.11 36.79 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 174.858 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . 0.78 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.6 pp -71.45 -30.06 65.59 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.681 176.888 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 409' ' ' LEU . . . . . 0.621 ' HA ' HD12 ' A' ' 412' ' ' LEU . 3.2 tm? -56.91 -45.16 82.83 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 174.921 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -59.6 -42.94 93.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.077 175.294 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 22.7 t -60.92 -54.88 39.63 Favored 'General case' 0 C--O 1.218 -0.569 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.806 178.952 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.78 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 10.6 mt -51.63 -40.44 59.93 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 121.478 0.656 . . . . 0.0 110.512 -178.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -64.3 -29.97 71.04 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.698 178.653 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -86.48 -28.04 23.69 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.961 0.41 . . . . 0.0 110.434 175.093 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 415' ' ' ASP . . . . . 0.408 ' HB2' ' HA ' ' A' ' 412' ' ' LEU . 1.8 m-20 -69.03 -13.86 62.7 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.251 177.796 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.521 HD21 ' HB2' ' A' ' 425' ' ' LYS . 95.6 mt . . . . . 0 C--N 1.323 -0.554 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.718 -179.24 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . 0.601 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 14.5 t70 . . . . . 0 N--CA 1.456 -0.141 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.9 mp -94.68 -27.72 15.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.846 0.355 . . . . 0.0 110.95 -175.135 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 424' ' ' SER . . . . . 0.439 ' O ' ' HG2' ' A' ' 428' ' ' ARG . 22.7 t -68.17 -47.63 67.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.913 -179.122 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . 0.601 ' HG2' ' OD1' ' A' ' 422' ' ' ASP . 48.0 mmtt -56.82 -34.97 68.26 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.333 0.587 . . . . 0.0 110.253 -179.784 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 426' ' ' GLU . . . . . 0.7 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 7.2 tp10 -70.48 -51.33 29.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.096 -175.92 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -65.06 -29.61 70.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.414 178.598 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 428' ' ' ARG . . . . . 0.439 ' HG2' ' O ' ' A' ' 424' ' ' SER . 18.3 mmt180 -76.67 -41.26 46.27 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.517 -177.816 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.7 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.3 pp -61.24 -34.62 75.44 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.695 177.399 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -80.82 -25.3 37.87 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.609 178.446 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.48 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 9.4 tp10 -62.03 -57.31 12.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.089 177.904 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.707 HG11 HD11 ' A' ' 408' ' ' LEU . 31.9 m -69.95 -32.85 53.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 C-N-CA 121.12 -0.232 . . . . 0.0 111.077 -178.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -61.37 -43.43 98.88 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.93 0.395 . . . . 0.0 110.43 -179.195 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 434' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 29.1 ptt180 -72.21 -31.6 66.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.532 -179.731 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 435' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 431' ' ' GLU . 83.0 mt -70.79 -56.96 8.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.733 -0.212 . . . . 0.0 111.354 179.137 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . . . . . . . . . 4.5 pp -59.01 -32.7 69.95 Favored 'General case' 0 N--CA 1.461 0.082 0 C-N-CA 121.248 -0.181 . . . . 0.0 110.907 -177.034 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . 0.778 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 41.6 m -74.75 -52.06 12.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.259 179.488 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 442' ' ' LYS . . . -61.42 -38.43 87.1 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.779 0.323 . . . . 0.0 110.561 -178.406 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 439' ' ' LEU . . . . . 0.687 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 29.9 tp -62.94 -61.17 2.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.047 -179.496 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 440' ' ' LYS . . . . . 0.778 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 58.1 pttt -59.62 -34.67 73.07 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.089 0.471 . . . . 0.0 111.725 -175.202 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -76.34 -39.86 52.83 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.524 -177.56 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 442' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 438' ' ' ALA . 13.1 mptt -79.39 -11.74 59.92 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.314 179.424 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . 0.687 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 71.3 mt . . . . . 0 C--N 1.326 -0.449 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.059 177.325 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . 0.516 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 22.9 tp60 . . . . . 0 C--O 1.234 0.28 0 CA-C-O 121.031 0.443 . . . . 0.0 109.957 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -66.36 -17.96 65.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.85 177.91 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -58.03 -56.6 24.29 Favored Glycine 0 N--CA 1.451 -0.363 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 -179.582 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.59 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -71.3 -36.07 60.2 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.861 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 177.854 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . 0.516 ' HG2' ' O ' ' A' ' 395' ' ' GLN . 24.8 mmtp -60.06 -46.6 89.02 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.853 -175.33 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -69.89 -44.45 69.72 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 120.857 0.361 . . . . 0.0 110.766 179.438 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -67.34 -38.67 85.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.911 -179.466 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 402' ' ' ILE . . . . . 0.59 HD12 HD11 ' A' ' 398' ' ' ILE . 14.8 tt -67.32 -33.49 63.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 -177.637 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.579 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 72.6 mtp180 -60.83 -43.33 98.39 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 175.024 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . 0.497 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 91.7 mtt180 -67.55 -50.17 59.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.587 176.179 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 405' ' ' GLN . . . . . 0.558 ' O ' ' HB2' ' A' ' 409' ' ' LEU . 28.9 mt-30 -63.03 -43.82 97.66 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.358 -175.639 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . 0.429 ' HG3' HG12 ' A' ' 402' ' ' ILE . 49.8 mt-10 -73.01 -27.49 61.81 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.875 178.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.579 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.5 t80 -66.29 -51.82 53.57 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 177.815 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . 0.669 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.2 pp -71.61 -30.24 65.57 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.453 176.947 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 409' ' ' LEU . . . . . 0.558 ' HB2' ' O ' ' A' ' 405' ' ' GLN . 6.0 tt -57.21 -54.27 48.65 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 108.706 -0.849 . . . . 0.0 108.706 175.019 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -52.05 -43.12 63.62 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.484 0.49 . . . . 0.0 110.859 177.864 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 19.3 m -62.85 -57.34 11.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.197 -178.338 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.669 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 3.7 pp -74.94 -16.11 60.66 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 121.068 0.461 . . . . 0.0 111.181 -178.095 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . 0.471 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 20.5 t-160 -72.42 -37.91 68.51 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 174.448 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -87.98 -5.79 58.34 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.023 179.44 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 415' ' ' ASP . . . . . 0.557 ' HB2' ' HA ' ' A' ' 412' ' ' LEU . 4.8 t70 -65.55 -25.41 67.42 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.646 0.736 . . . . 0.0 109.968 174.435 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 34.5 mt . . . . . 0 C--N 1.32 -0.706 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.186 178.3 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . 0.518 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 9.9 t0 . . . . . 0 N--CA 1.455 -0.216 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.5 mp -95.76 -22.57 17.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.117 -176.72 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 24.8 m -66.93 -35.67 80.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.382 -178.646 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . 0.555 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 0.2 OUTLIER -69.52 -28.83 66.37 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.648 177.09 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 426' ' ' GLU . . . . . 0.671 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 44.2 mt-10 -70.32 -52.43 22.76 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.254 0.549 . . . . 0.0 110.119 179.464 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -66.95 -20.3 65.87 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.513 -179.614 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 -82.37 -42.91 18.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.597 -179.306 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.671 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.3 pp -61.96 -36.11 80.46 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.967 0.413 . . . . 0.0 110.087 179.035 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 4.1 t90 -77.55 -31.24 53.16 Favored 'General case' 0 N--CA 1.438 -1.046 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.139 179.425 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.546 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 33.3 tt0 -64.77 -49.98 68.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.733 -179.605 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.428 HG23 HD12 ' A' ' 409' ' ' LEU . 16.1 m -69.89 -28.46 36.8 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.578 178.801 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -70.59 -48.03 57.28 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.755 0.312 . . . . 0.0 110.408 179.508 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 434' ' ' ARG . . . . . 0.546 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 35.1 ptt180 -61.77 -31.58 71.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.111 -178.445 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 435' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 431' ' ' GLU . 79.1 mt -72.91 -53.28 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.991 177.366 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . 0.47 ' HB3' ' NE2' ' A' ' 405' ' ' GLN . 4.6 pp -61.48 -32.49 72.51 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.823 0.344 . . . . 0.0 110.819 -177.615 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . 0.504 ' O ' ' HG2' ' A' ' 441' ' ' ARG . 58.4 m -68.63 -57.71 5.33 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.872 178.389 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -63.84 -36.42 83.86 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.729 0.3 . . . . 0.0 111.239 -176.224 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 439' ' ' LEU . . . . . 0.459 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 43.2 tp -60.71 -54.75 41.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.959 -178.734 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 440' ' ' LYS . . . . . 0.491 ' HB3' HG13 ' A' ' 398' ' ' ILE . 18.1 pttp -64.37 -27.5 69.05 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.869 0.366 . . . . 0.0 111.056 -177.098 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 441' ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' A' ' 437' ' ' THR . 28.4 mmm180 -65.91 -51.55 57.65 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.486 177.436 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -72.41 -10.97 60.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.667 0.27 . . . . 0.0 111.654 -179.398 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 74.8 mt . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.684 178.797 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . 0.63 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 19.6 mm-40 . . . . . 0 CA--C 1.52 -0.188 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -64.5 -22.1 66.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.166 174.277 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.37 -59.24 10.25 Favored Glycine 0 N--CA 1.445 -0.748 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.652 -179.715 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.522 ' HB ' HD23 ' A' ' 439' ' ' LEU . 0.0 OUTLIER -67.06 -34.58 70.69 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.745 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 -177.588 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . 0.63 ' HG2' ' O ' ' A' ' 395' ' ' GLN . 33.9 mmtp -58.31 -53.32 59.61 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.308 -178.839 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 403' ' ' ARG . 28.6 tt0 -68.77 -44.76 73.03 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-O 121.502 0.668 . . . . 0.0 110.25 -179.045 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 401' ' ' GLU . . . . . 0.64 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 41.9 mt-10 -62.36 -45.77 91.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.215 179.499 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 402' ' ' ILE . . . . . 0.521 HD12 HD11 ' A' ' 398' ' ' ILE . 13.3 tt -65.4 -35.06 74.42 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.451 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -172.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.611 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 17.4 ptm180 -64.02 -39.24 93.65 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 119.231 -0.988 . . . . 0.0 109.777 176.83 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 -70.62 -38.9 73.99 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.239 174.545 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 405' ' ' GLN . . . . . 0.64 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 46.0 mt-30 -66.21 -54.59 23.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.448 179.701 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . 0.401 ' HG2' HG12 ' A' ' 402' ' ' ILE . 5.8 mm-40 -61.29 -28.45 69.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.776 0.322 . . . . 0.0 110.137 179.307 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.611 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 4.8 t80 -63.08 -53.49 52.87 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.098 178.493 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . 0.557 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.0 pp -73.22 -31.46 64.17 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 178.868 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 409' ' ' LEU . . . . . 0.49 ' N ' HD12 ' A' ' 408' ' ' LEU . 5.6 tt -60.23 -48.59 81.09 Favored 'General case' 0 C--O 1.223 -0.342 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 177.427 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -55.43 -45.3 76.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.891 174.427 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . 0.424 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 40.5 m -63.21 -52.92 60.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.309 -177.38 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.755 ' HB2' ' HB3' ' A' ' 425' ' ' LYS . 4.1 pp -71.47 -23.32 61.8 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.129 -179.845 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . 0.447 ' N ' HD12 ' A' ' 412' ' ' LEU . 11.8 t-160 -65.75 -40.69 92.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.769 0.318 . . . . 0.0 110.748 176.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 414' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 411' ' ' SER . 15.1 ptm180 -82.44 -16.66 48.09 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.083 -179.918 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -67.69 -21.25 65.33 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.12 175.302 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.529 HD21 ' HB2' ' A' ' 425' ' ' LYS . 45.8 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.834 177.056 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . 0.467 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 11.8 t70 . . . . . 0 CA--C 1.519 -0.249 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.3 mp -119.4 -7.71 10.16 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.527 0.68 . . . . 0.0 109.94 177.416 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 4.7 t -73.23 -40.77 64.42 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.862 -174.453 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . 0.755 ' HB3' ' HB2' ' A' ' 412' ' ' LEU . 21.0 mmtm -69.6 -23.44 63.52 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -179.541 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 426' ' ' GLU . . . . . 0.62 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 30.3 tt0 -72.53 -42.14 65.07 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 -178.57 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -64.05 -28.52 69.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.833 173.37 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 35.0 mmt180 -76.23 -43.98 39.65 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.336 -179.873 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.62 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.3 pp -62.48 -33.02 74.03 Favored 'General case' 0 CA--C 1.513 -0.451 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.608 -179.261 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 430' ' ' TRP . . . . . 0.404 ' N ' HD12 ' A' ' 429' ' ' LEU . 3.9 t90 -76.43 -34.13 58.77 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 120.037 -0.665 . . . . 0.0 110.262 179.149 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.655 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 43.6 tt0 -62.79 -53.73 49.76 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.224 178.498 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.401 HG13 HD12 ' A' ' 409' ' ' LEU . 9.0 p -66.48 -34.24 68.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.84 179.668 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -62.85 -48.92 76.97 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 120.925 0.393 . . . . 0.0 110.306 178.681 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 434' ' ' ARG . . . . . 0.655 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 11.5 ptm180 -64.21 -29.52 70.62 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.592 -175.037 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 435' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 431' ' ' GLU . 73.8 mt -71.15 -56.99 8.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.161 177.757 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . 0.465 HD12 ' N ' ' A' ' 437' ' ' THR . 4.3 pp -60.99 -35.79 77.76 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 120.638 0.256 . . . . 0.0 111.12 -177.937 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . 0.465 ' N ' HD12 ' A' ' 436' ' ' LEU . 56.5 m -69.41 -52.57 25.61 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.159 178.951 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -65.05 -32.09 73.63 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 120.762 0.315 . . . . 0.0 110.773 -176.373 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 439' ' ' LEU . . . . . 0.522 HD23 ' HB ' ' A' ' 398' ' ' ILE . 33.3 tp -65.69 -60.66 2.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.806 -177.226 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 440' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -62.35 -36.77 83.27 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.673 -175.734 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -70.25 -42.14 72.56 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.139 -177.7 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -69.5 -38.15 77.51 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 121.029 -0.268 . . . . 0.0 110.931 177.707 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 56.6 mt . . . . . 0 C--N 1.326 -0.455 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -177.03 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . 0.661 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 28.3 mm-40 . . . . . 0 CA--C 1.518 -0.28 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -62.24 -23.39 66.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.169 175.299 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 397' ' ' GLY . . . . . 0.484 ' O ' ' HB2' ' A' ' 401' ' ' GLU . . . -61.1 -58.4 13.76 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.663 176.691 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.941 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -71.07 -33.63 52.15 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.379 0 O-C-N 123.452 0.148 . . . . 0.0 110.664 -179.278 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . 0.661 ' HG2' ' O ' ' A' ' 395' ' ' GLN . 34.1 mmtp -59.96 -59.55 5.25 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.576 -179.255 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -63.77 -43.31 96.76 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.059 0.457 . . . . 0.0 110.213 -178.289 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 401' ' ' GLU . . . . . 0.484 ' HB2' ' O ' ' A' ' 397' ' ' GLY . 10.4 tt0 -54.94 -54.66 39.91 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.362 175.65 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 402' ' ' ILE . . . . . 0.941 HD12 HD11 ' A' ' 398' ' ' ILE . 0.3 OUTLIER -58.19 -29.9 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 O-C-N 123.385 0.428 . . . . 0.0 111.4 -177.117 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.657 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 81.0 mtp180 -57.0 -52.97 63.13 Favored 'General case' 0 CA--C 1.521 -0.168 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 174.794 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . 0.42 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 20.8 mmm180 -75.92 -39.29 56.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.093 -179.671 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 405' ' ' GLN . . . . . 0.556 ' HB2' ' HA ' ' A' ' 402' ' ' ILE . 12.9 mm100 -61.96 -47.9 82.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.135 -179.36 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . 0.649 ' HA ' ' HB3' ' A' ' 409' ' ' LEU . 33.9 mt-10 -76.87 -18.78 58.13 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.507 178.236 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.657 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 4.6 t80 -67.19 -51.8 49.14 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 175.199 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . 0.689 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.2 pp -70.79 -32.13 69.13 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.317 176.33 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 409' ' ' LEU . . . . . 0.649 ' HB3' ' HA ' ' A' ' 406' ' ' GLU . 52.3 tp -59.15 -45.07 91.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.145 0.498 . . . . 0.0 109.673 174.544 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -60.27 -44.61 95.18 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.388 -0.823 . . . . 0.0 109.922 176.157 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . 0.424 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 24.7 m -62.24 -57.39 11.63 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.249 -179.666 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.689 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 3.3 pp -67.8 -16.56 64.17 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -176.919 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . 0.41 ' N ' HD12 ' A' ' 412' ' ' LEU . 5.3 m170 -70.02 -40.95 74.9 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 120.735 0.302 . . . . 0.0 110.803 173.37 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 414' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 411' ' ' SER . 28.6 ptt180 -80.43 -13.77 58.85 Favored 'General case' 0 C--N 1.328 -0.37 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.401 178.185 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 415' ' ' ASP . . . . . 0.459 ' OD2' ' HA ' ' A' ' 412' ' ' LEU . 17.1 m-20 -69.56 -17.25 63.54 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.923 0.392 . . . . 0.0 110.148 172.434 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.479 HD21 ' HB2' ' A' ' 425' ' ' LYS . 44.4 mt . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.248 176.959 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . 0.574 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 9.9 t70 . . . . . 0 N--CA 1.455 -0.199 0 CA-C-O 120.953 0.406 . . . . 0.0 110.066 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 91.1 mt -82.76 -14.48 54.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.199 -177.533 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 35.2 t -71.71 -53.32 13.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.944 -178.142 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . 0.574 ' HD3' ' OD1' ' A' ' 422' ' ' ASP . 12.1 mptt -62.53 -29.58 70.67 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.985 -179.217 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 426' ' ' GLU . . . . . 0.693 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 34.7 tt0 -68.58 -57.81 5.2 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.687 -176.33 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -62.97 -29.21 70.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.992 0.425 . . . . 0.0 110.423 177.421 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 428' ' ' ARG . . . . . 0.482 ' O ' HG12 ' A' ' 432' ' ' VAL . 17.9 ttt180 -73.31 -39.38 65.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.853 -178.306 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.693 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 3.6 pp -64.11 -32.94 74.69 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.293 -179.939 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -77.07 -32.89 57.11 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.375 177.17 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 36.1 tt0 -60.37 -57.41 12.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.353 176.729 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.536 HG23 ' NE2' ' A' ' 405' ' ' GLN . 4.9 p -61.52 -38.44 80.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 179.5 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -63.37 -47.36 82.39 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.332 -177.978 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 434' ' ' ARG . . . . . 0.5 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 2.4 ptm180 -69.42 -28.3 66.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.492 -175.587 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 435' ' ' ILE . . . . . . . . . . . . . 72.3 mt -74.43 -53.06 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.217 178.934 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . 0.684 ' HB2' HG13 ' A' ' 402' ' ' ILE . 4.4 pp -61.49 -33.17 73.32 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.672 0.272 . . . . 0.0 110.788 -179.822 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . 0.497 ' N ' HD12 ' A' ' 436' ' ' LEU . 46.8 m -72.1 -55.97 6.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.817 177.876 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.02 -31.14 70.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.668 0.271 . . . . 0.0 111.052 -177.835 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 439' ' ' LEU . . . . . 0.685 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 45.6 tp -63.57 -61.42 2.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.392 179.148 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 440' ' ' LYS . . . . . 0.489 ' HB3' HG13 ' A' ' 398' ' ' ILE . 56.3 pttt -62.61 -28.72 70.09 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.684 0.278 . . . . 0.0 111.522 -178.141 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -68.55 -56.5 8.11 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.167 176.956 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -56.18 -43.74 78.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.357 -179.747 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . 0.685 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 85.7 mt . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.53 -179.382 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . 0.555 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.456 -0.143 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 . . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -67.86 -18.64 64.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.17 0.51 . . . . 0.0 109.797 173.499 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.44 -58.62 11.62 Favored Glycine 0 N--CA 1.443 -0.9 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.41 177.175 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.485 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -66.38 -32.14 56.76 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.846 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.689 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' A' ' 395' ' ' GLN . 33.0 mmtp -58.63 -49.93 75.69 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.863 0.363 . . . . 0.0 111.02 179.717 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -66.2 -49.05 68.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.181 0.515 . . . . 0.0 110.355 178.784 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -64.67 -39.9 94.48 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.299 -176.916 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 402' ' ' ILE . . . . . 0.682 HG13 HD22 ' A' ' 436' ' ' LEU . 12.3 tt -66.83 -30.09 48.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 117.544 0.157 . . . . 0.0 110.811 -177.584 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.653 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 89.6 mtt180 -64.18 -46.95 81.7 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 177.142 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -68.77 -42.82 76.94 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.587 -1.188 . . . . 0.0 111.327 178.164 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 405' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -67.82 -46.05 72.94 Favored 'General case' 0 C--O 1.221 -0.398 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -177.436 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . 0.444 ' HA ' ' HB3' ' A' ' 409' ' ' LEU . 40.5 mt-10 -71.59 -20.55 61.98 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.211 177.236 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.653 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 9.1 t80 -67.83 -54.21 20.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.678 175.949 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . 0.682 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.3 pp -70.61 -30.63 67.35 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.364 177.563 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 409' ' ' LEU . . . . . 0.546 ' HG ' ' HB2' ' A' ' 429' ' ' LEU . 8.3 tt -57.71 -48.96 78.11 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 174.441 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -58.82 -42.27 88.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.03 176.222 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 31.2 m -62.28 -57.22 12.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.994 -179.662 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.682 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 3.9 pp -71.73 -15.73 62.2 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 111.035 -178.245 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . 0.479 ' HD2' HD12 ' A' ' 416' ' ' LEU . 15.7 t-160 -74.46 -37.14 63.3 Favored 'General case' 0 CA--C 1.516 -0.329 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 172.866 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 31.3 mtm180 -68.34 -22.54 64.68 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.494 177.163 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 415' ' ' ASP . . . . . 0.595 ' OD2' ' HA ' ' A' ' 412' ' ' LEU . 9.4 m-20 -64.5 -19.05 65.35 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.669 173.334 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.625 HD21 ' HB2' ' A' ' 425' ' ' LYS . 58.1 mt . . . . . 0 C--N 1.326 -0.441 0 CA-C-O 121.184 0.516 . . . . 0.0 110.921 -177.836 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 14.0 t70 . . . . . 0 CA--C 1.516 -0.34 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . 0.406 ' O ' ' HG2' ' A' ' 427' ' ' GLU . 68.8 mt -111.35 -18.84 12.82 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.213 179.327 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 424' ' ' SER . . . . . 0.513 ' O ' ' HG3' ' A' ' 428' ' ' ARG . 79.5 p -63.57 -45.12 91.91 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.011 -177.355 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . 0.625 ' HB2' HD21 ' A' ' 416' ' ' LEU . 35.3 mmtp -67.09 -30.18 70.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.125 0.488 . . . . 0.0 110.523 178.825 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 426' ' ' GLU . . . . . 0.622 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 37.1 tt0 -73.62 -40.66 63.64 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.038 -177.099 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 423' ' ' LEU . 5.8 mm-40 -65.26 -27.15 68.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.285 0.564 . . . . 0.0 109.564 174.624 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 428' ' ' ARG . . . . . 0.513 ' HG3' ' O ' ' A' ' 424' ' ' SER . 93.1 mtt180 -73.33 -45.43 55.31 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.203 -179.763 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.673 ' HB3' ' CD1' ' A' ' 412' ' ' LEU . 4.0 pp -64.52 -36.13 83.2 Favored 'General case' 0 CA--C 1.51 -0.583 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.098 -178.93 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -76.12 -27.7 57.18 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.066 179.288 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.52 ' O ' HG13 ' A' ' 435' ' ' ILE . 10.0 tp10 -64.98 -58.13 6.91 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.944 177.828 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 17.3 m -64.13 -30.69 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.723 179.701 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -66.22 -49.27 67.8 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 178.888 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 434' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -71.08 -22.06 62.15 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.057 -177.671 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 435' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 431' ' ' GLU . 79.7 mt -71.07 -57.99 6.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.215 173.361 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . 0.682 HD22 HG13 ' A' ' 402' ' ' ILE . 4.5 pp -60.73 -30.02 69.72 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.704 0.288 . . . . 0.0 110.698 -179.742 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . 0.628 ' O ' ' HG2' ' A' ' 441' ' ' ARG . 90.7 m -69.01 -59.65 2.9 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.686 176.542 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.35 -38.03 82.53 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 120.852 0.358 . . . . 0.0 110.951 -177.444 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 44.8 tp -59.66 -58.52 8.23 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.088 -179.224 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 440' ' ' LYS . . . . . 0.485 ' HB3' HG13 ' A' ' 398' ' ' ILE . 16.2 pttp -62.45 -29.46 70.54 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.722 0.296 . . . . 0.0 111.635 -174.402 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 441' ' ' ARG . . . . . 0.628 ' HG2' ' O ' ' A' ' 437' ' ' THR . 9.8 mmm180 -76.11 -51.47 12.15 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.401 178.679 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -74.25 -7.56 53.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.999 0.428 . . . . 0.0 111.528 -178.541 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . 0.491 HD22 HE21 ' A' ' 395' ' ' GLN . 8.6 tt . . . . . 0 C--N 1.319 -0.735 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.187 177.985 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 . . . . . 0 C--O 1.235 0.338 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -70.0 -11.61 61.01 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.997 173.228 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.67 -61.14 6.49 Favored Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.264 176.162 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.475 ' HB ' HD23 ' A' ' 439' ' ' LEU . 0.0 OUTLIER -66.21 -30.02 48.57 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.669 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.234 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . 0.832 ' HA ' ' HE3' ' A' ' 399' ' ' LYS . 0.2 OUTLIER -55.26 -57.08 13.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.135 0.493 . . . . 0.0 110.757 176.731 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . 0.669 ' HG3' HH21 ' A' ' 403' ' ' ARG . 33.5 tt0 -72.09 -42.28 66.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.092 -179.287 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -65.53 -31.59 72.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.505 -179.172 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 402' ' ' ILE . . . . . 0.617 HG22 ' O ' ' A' ' 399' ' ' LYS . 11.1 tt -70.08 -34.33 58.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.424 -0.511 . . . . 0.0 110.081 178.399 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.669 HH21 ' HG3' ' A' ' 400' ' ' GLU . 53.3 mtm180 -59.11 -48.64 80.87 Favored 'General case' 0 CA--C 1.519 -0.212 0 C-N-CA 120.568 -0.453 . . . . 0.0 109.851 173.197 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -68.06 -46.67 70.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.153 -178.347 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 405' ' ' GLN . . . . . 0.587 ' O ' HD23 ' A' ' 408' ' ' LEU . 23.2 mt-30 -68.95 -46.22 68.74 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.849 -176.09 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -64.15 -27.53 69.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.995 0.426 . . . . 0.0 110.357 176.458 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.596 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 6.6 t80 -65.5 -57.72 7.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.323 -179.616 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . 0.587 HD23 ' O ' ' A' ' 405' ' ' GLN . 1.3 pt? -76.29 -25.75 55.2 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 119.851 -0.74 . . . . 0.0 110.253 -178.084 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 409' ' ' LEU . . . . . 0.708 HD12 HG23 ' A' ' 432' ' ' VAL . 6.5 tt -58.81 -51.02 71.77 Favored 'General case' 0 C--O 1.223 -0.309 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 174.401 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 410' ' ' ASN . . . . . 0.539 ' C ' HD22 ' A' ' 410' ' ' ASN . 0.1 OUTLIER -57.59 -40.84 79.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.639 176.874 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 39.3 m -63.75 -60.96 2.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.404 179.908 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 4.5 pp -67.34 -18.34 65.12 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 120.853 0.359 . . . . 0.0 111.316 -177.662 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . 0.423 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 19.9 t-160 -65.76 -38.64 89.62 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 172.446 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -79.81 -15.11 58.07 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.863 178.433 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -72.94 0.52 10.98 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.859 0.361 . . . . 0.0 110.393 171.208 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.686 HD21 ' HB2' ' A' ' 425' ' ' LYS . 90.2 mt . . . . . 0 C--N 1.322 -0.61 0 CA-C-O 120.978 0.418 . . . . 0.0 109.874 174.222 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . 0.513 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 10.2 t70 . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 86.3 mt -112.68 -18.79 12.26 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.112 0.482 . . . . 0.0 110.3 177.741 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 47.6 p -67.21 -38.76 85.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.197 -176.869 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . 0.686 ' HB2' HD21 ' A' ' 416' ' ' LEU . 1.8 mmpp? -65.24 -32.13 73.64 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 120.837 0.351 . . . . 0.0 110.221 -179.896 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 426' ' ' GLU . . . . . 0.575 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 35.7 tt0 -67.15 -46.69 73.28 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.815 -178.404 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -63.38 -30.17 71.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.282 175.363 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -75.88 -41.09 53.17 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.8 -177.401 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.5 pp -66.55 -32.8 74.37 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.136 178.287 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -78.66 -26.93 45.17 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 177.977 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.587 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 39.5 tt0 -66.54 -54.65 21.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.562 178.867 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.708 HG23 HD12 ' A' ' 409' ' ' LEU . 29.5 m -68.09 -29.82 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 CA-C-O 120.805 0.336 . . . . 0.0 110.847 179.306 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -67.59 -48.43 66.87 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.483 179.95 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 434' ' ' ARG . . . . . 0.587 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 16.5 ptm180 -64.14 -31.16 72.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.589 -178.223 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 435' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 431' ' ' GLU . 86.2 mt -69.04 -54.83 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.037 178.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . 0.575 HD22 HG13 ' A' ' 402' ' ' ILE . 4.4 pp -62.09 -33.07 73.76 Favored 'General case' 0 C--N 1.334 -0.096 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.837 -178.926 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . 0.528 ' O ' ' HG2' ' A' ' 441' ' ' ARG . 54.1 m -71.04 -54.88 9.61 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.77 179.569 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -64.92 -34.38 78.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.903 -175.46 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 439' ' ' LEU . . . . . 0.475 HD23 ' HB ' ' A' ' 398' ' ' ILE . 50.9 tp -65.7 -54.9 21.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.635 -178.319 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 440' ' ' LYS . . . . . . . . . . . . . 58.2 pttt -61.53 -32.06 72.11 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 121.317 0.58 . . . . 0.0 110.663 -177.184 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 441' ' ' ARG . . . . . 0.528 ' HG2' ' O ' ' A' ' 437' ' ' THR . 37.3 mmt180 -68.54 -52.53 30.97 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.751 179.693 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.13 7.85 23.23 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -176.375 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 16.1 tp . . . . . 0 C--N 1.329 -0.283 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.269 178.246 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . 0.533 ' O ' ' HB2' ' A' ' 399' ' ' LYS . 14.1 mm100 . . . . . 0 CA--C 1.519 -0.225 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -70.1 -10.78 59.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.529 174.49 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -69.09 -69.23 1.43 Allowed Glycine 0 N--CA 1.442 -0.905 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.647 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -64.84 -28.33 44.56 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.096 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . 0.782 ' HA ' ' HE2' ' A' ' 399' ' ' LYS . 0.0 OUTLIER -58.61 -58.26 9.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.076 0.465 . . . . 0.0 110.914 178.833 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . 0.676 ' HG3' HH21 ' A' ' 403' ' ' ARG . 34.3 tt0 -71.73 -42.62 67.08 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.679 -177.658 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 401' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 47.8 mt-10 -61.71 -42.65 99.23 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.6 179.085 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 402' ' ' ILE . . . . . 0.647 HD12 HD11 ' A' ' 398' ' ' ILE . 9.5 tt -64.59 -28.69 45.4 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.256 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.545 -177.805 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.676 HH21 ' HG3' ' A' ' 400' ' ' GLU . 81.8 mtm180 -57.53 -48.86 78.15 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 120.139 -0.624 . . . . 0.0 109.344 172.408 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -72.29 -39.92 67.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.245 178.52 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 405' ' ' GLN . . . . . 0.555 ' HB2' ' HA ' ' A' ' 402' ' ' ILE . 95.8 mt-30 -64.41 -50.16 68.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.3 -177.628 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . 0.472 ' HG2' HG12 ' A' ' 402' ' ' ILE . 6.8 mm-40 -66.71 -27.73 67.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.004 0.431 . . . . 0.0 109.98 177.234 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.613 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.5 t80 -66.15 -51.25 59.63 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.937 177.971 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . 0.785 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.9 pp -70.42 -33.97 71.97 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.346 178.243 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 409' ' ' LEU . . . . . 0.605 ' HA ' HD12 ' A' ' 412' ' ' LEU . 28.9 tp -57.39 -41.1 79.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.396 0.617 . . . . 0.0 109.772 175.216 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -57.57 -48.8 78.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.795 178.529 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 35.0 p -67.65 -42.94 81.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.658 -177.967 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.785 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 15.2 mt -55.44 -44.61 76.5 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-O 121.721 0.772 . . . . 0.0 109.83 175.6 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . 0.512 ' HD2' HD22 ' A' ' 429' ' ' LEU . 32.5 m170 -62.5 -45.04 94.83 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.477 -1.238 . . . . 0.0 111.72 178.268 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -79.14 -1.65 37.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.742 0.306 . . . . 0.0 111.306 -178.738 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -102.16 7.74 40.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.305 0.574 . . . . 0.0 109.706 177.957 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 412' ' ' LEU . 74.9 mt . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.807 175.479 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 9.3 t70 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.6 mp -82.93 -33.95 26.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.9 -175.079 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 424' ' ' SER . . . . . 0.49 ' O ' ' HB2' ' A' ' 428' ' ' ARG . 8.6 t -65.85 -44.96 83.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.838 -176.022 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 43.7 mttp -75.28 -29.09 60.01 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 121.151 -0.22 . . . . 0.0 110.489 179.535 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 426' ' ' GLU . . . . . 0.637 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 40.9 tt0 -63.46 -50.06 71.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.302 0.573 . . . . 0.0 110.48 178.91 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -72.3 -23.96 61.26 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.122 177.756 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 428' ' ' ARG . . . . . 0.49 ' HB2' ' O ' ' A' ' 424' ' ' SER . 47.5 ttt180 -74.02 -46.55 42.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.406 -178.273 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.637 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.1 pp -60.09 -35.59 75.55 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.12 176.791 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -74.11 -32.64 63.29 Favored 'General case' 0 N--CA 1.445 -0.716 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.489 178.428 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.495 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 11.3 tp10 -62.21 -56.33 19.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.909 178.217 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.523 HG21 HD11 ' A' ' 408' ' ' LEU . 13.3 p -66.4 -33.0 60.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.918 -178.942 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . 0.481 ' HB2' ' O ' ' A' ' 429' ' ' LEU . 7.2 tt0 -63.67 -45.99 87.58 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 120.798 0.332 . . . . 0.0 110.297 -177.435 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 434' ' ' ARG . . . . . 0.495 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 32.0 ptt180 -67.91 -32.09 72.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.523 -178.515 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 435' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 431' ' ' GLU . 76.8 mt -69.1 -57.12 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 121.127 -0.229 . . . . 0.0 111.243 178.89 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . 0.452 HD12 ' N ' ' A' ' 437' ' ' THR . 4.4 pp -58.06 -34.68 70.38 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.672 0.272 . . . . 0.0 110.899 -178.719 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . 0.553 ' O ' ' HG2' ' A' ' 441' ' ' ARG . 58.2 m -70.62 -57.35 4.82 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.623 177.981 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.11 -38.96 84.57 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.755 0.312 . . . . 0.0 111.248 -175.675 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 439' ' ' LEU . . . . . 0.439 HD23 ' HB ' ' A' ' 398' ' ' ILE . 39.8 tp -65.5 -54.5 27.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.2 -176.961 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 440' ' ' LYS . . . . . 0.466 ' HB3' HG13 ' A' ' 398' ' ' ILE . 61.5 pttt -63.67 -29.92 71.09 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.923 0.392 . . . . 0.0 110.94 -175.448 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 441' ' ' ARG . . . . . 0.553 ' HG2' ' O ' ' A' ' 437' ' ' THR . 34.9 mmt180 -73.91 -48.97 27.06 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.852 -179.027 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -66.18 -27.23 67.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.817 178.396 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 21.6 tp . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.426 -177.735 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -68.71 -21.48 64.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.805 171.978 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.58 -55.33 23.52 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.936 177.981 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.562 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -67.69 -34.47 68.06 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.863 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 177.187 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . 0.511 ' O ' HG22 ' A' ' 402' ' ' ILE . 0.3 OUTLIER -61.03 -49.71 76.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.826 0.346 . . . . 0.0 111.703 -177.676 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -68.17 -46.92 69.39 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.309 0.576 . . . . 0.0 110.172 179.786 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 401' ' ' GLU . . . . . 0.513 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 5.7 mm-40 -65.58 -37.22 86.05 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.608 -0.723 . . . . 0.0 111.593 -178.981 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 402' ' ' ILE . . . . . 0.562 HD12 HD11 ' A' ' 398' ' ' ILE . 12.0 tt -68.17 -30.22 47.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -177.739 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.673 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 97.6 mtt180 -62.61 -43.28 99.19 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 173.928 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . 0.507 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 64.3 mtt85 -67.04 -49.24 65.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.918 175.23 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 405' ' ' GLN . . . . . 0.513 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 49.0 mt-30 -58.9 -58.88 6.67 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.004 -178.978 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -60.62 -27.04 67.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.752 0.31 . . . . 0.0 110.747 -179.645 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.673 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 6.6 t80 -63.51 -60.05 3.86 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.977 178.073 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . 0.633 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.2 pp -70.58 -29.21 65.58 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 -179.336 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 409' ' ' LEU . . . . . 0.557 ' HG ' ' HB2' ' A' ' 429' ' ' LEU . 7.9 tt -60.57 -47.23 87.09 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 176.391 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 410' ' ' ASN . . . . . 0.455 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 11.0 t30 -61.92 -42.49 99.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.229 177.472 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 22.2 m -59.86 -52.87 63.6 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.855 179.653 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.679 ' HB2' ' HB3' ' A' ' 425' ' ' LYS . 3.9 pp -75.59 -18.88 59.59 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.309 -0.557 . . . . 0.0 111.208 -178.751 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . 0.424 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 18.5 t-160 -67.14 -43.04 83.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.057 0.456 . . . . 0.0 109.862 175.202 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 414' ' ' ARG . . . . . 0.455 ' HG2' ' O ' ' A' ' 410' ' ' ASN . 11.3 ptm180 -80.11 -13.66 59.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 177.811 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 415' ' ' ASP . . . . . 0.458 ' HB2' ' HA ' ' A' ' 412' ' ' LEU . 15.1 t70 -65.75 -23.59 66.76 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.549 0.69 . . . . 0.0 110.016 174.688 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.744 HD21 ' HB2' ' A' ' 425' ' ' LYS . 24.9 mt . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.999 -179.194 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . 0.46 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 11.1 t70 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -120.38 -7.17 9.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.142 0.496 . . . . 0.0 110.507 176.226 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 38.6 m -73.84 -40.42 63.32 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.178 -177.296 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . 0.744 ' HB2' HD21 ' A' ' 416' ' ' LEU . 28.1 mmtm -69.44 -30.43 68.35 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 178.957 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 426' ' ' GLU . . . . . 0.597 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 8.4 tp10 -65.33 -49.69 68.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.934 -177.686 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -69.84 -27.21 64.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.966 178.594 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 428' ' ' ARG . . . . . 0.487 ' O ' HG23 ' A' ' 432' ' ' VAL . 22.8 tpt180 -74.42 -45.44 46.51 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.219 -178.087 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.637 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.3 pp -62.13 -35.84 79.97 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.347 -179.965 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -68.61 -33.42 74.01 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.163 179.487 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.535 ' HG3' ' HE ' ' A' ' 434' ' ' ARG . 35.9 tt0 -68.82 -43.95 74.51 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.088 175.277 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 428' ' ' ARG . 61.0 t -59.13 -47.46 90.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.289 0.566 . . . . 0.0 109.981 175.142 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -61.9 -43.9 97.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.651 -178.393 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 434' ' ' ARG . . . . . 0.535 ' HE ' ' HG3' ' A' ' 431' ' ' GLU . 36.3 ptt180 -68.06 -25.08 65.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.646 -176.887 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 435' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 431' ' ' GLU . 74.1 mt -76.06 -56.69 7.73 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-N 116.822 -0.172 . . . . 0.0 110.868 177.853 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . 0.429 HD12 ' N ' ' A' ' 437' ' ' THR . 3.8 pp -60.73 -32.49 71.76 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.505 0.193 . . . . 0.0 111.24 -178.434 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . 0.689 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 79.0 m -69.54 -54.38 14.4 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.75 177.296 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . 0.531 ' O ' ' HD2' ' A' ' 442' ' ' LYS . . . -63.05 -38.97 93.3 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.763 -0.199 . . . . 0.0 110.766 -177.54 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 439' ' ' LEU . . . . . 0.5 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 36.1 tp -59.84 -54.69 43.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.134 -177.207 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 440' ' ' LYS . . . . . 0.689 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 62.5 pttt -62.85 -33.58 75.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.811 0.338 . . . . 0.0 111.243 -177.266 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -72.9 -50.23 24.96 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.681 -179.801 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 442' ' ' LYS . . . . . 0.531 ' HD2' ' O ' ' A' ' 438' ' ' ALA . 0.7 OUTLIER -67.99 -20.21 65.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.775 -177.097 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 77.8 mt . . . . . 0 C--N 1.325 -0.466 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.559 179.745 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 121.108 0.48 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -69.07 -15.29 63.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.343 174.46 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.62 -56.37 19.73 Favored Glycine 0 N--CA 1.447 -0.595 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.409 178.162 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.51 ' CD1' ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -69.7 -29.22 40.29 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.859 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 177.066 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . 0.453 ' O ' HG22 ' A' ' 402' ' ' ILE . 0.6 OUTLIER -57.95 -53.21 60.86 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.693 -178.905 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . 0.507 ' HA ' ' HD3' ' A' ' 403' ' ' ARG . 0.4 OUTLIER -71.71 -39.36 70.21 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 177.453 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 401' ' ' GLU . . . . . 0.443 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 18.9 mm-40 -59.1 -47.93 83.47 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.61 178.713 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 402' ' ' ILE . . . . . 0.453 HG22 ' O ' ' A' ' 399' ' ' LYS . 12.5 tt -65.38 -29.56 47.55 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.469 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -177.424 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.578 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 26.8 mtp85 -58.99 -44.94 91.71 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.112 172.542 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . 0.491 ' HG2' ' O ' ' A' ' 400' ' ' GLU . 9.8 mmm180 -75.07 -42.62 56.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.111 0.481 . . . . 0.0 110.298 179.786 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 405' ' ' GLN . . . . . 0.443 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 74.4 mt-30 -67.39 -47.73 69.48 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.499 -177.349 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . 0.423 ' HG2' HG12 ' A' ' 402' ' ' ILE . 60.7 mm-40 -63.85 -30.9 71.94 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 176.261 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.578 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 1.4 t80 -57.99 -56.65 19.27 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.88 177.84 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . 0.507 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.5 pp -74.51 -30.76 61.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.355 -179.671 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 409' ' ' LEU . . . . . 0.495 ' N ' HD12 ' A' ' 408' ' ' LEU . 6.6 tt -60.53 -47.85 84.34 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 177.876 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -60.53 -40.95 93.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.216 177.974 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . 0.446 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 23.0 t -63.16 -57.41 10.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.77 179.227 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.605 ' HA ' ' OD1' ' A' ' 415' ' ' ASP . 4.5 pp -67.66 -17.09 64.47 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 122.017 -0.427 . . . . 0.0 111.379 -178.834 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -71.78 -37.67 70.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.657 0.265 . . . . 0.0 110.599 174.01 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 414' ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' A' ' 411' ' ' SER . 12.3 ptm180 -85.26 -1.88 57.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.805 0.336 . . . . 0.0 111.208 179.392 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 415' ' ' ASP . . . . . 0.605 ' OD1' ' HA ' ' A' ' 412' ' ' LEU . 1.1 m-20 -61.47 -28.01 68.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.403 165.347 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 3.5 mp . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.949 -178.661 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . 0.646 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 10.3 t70 . . . . . 0 N--CA 1.454 -0.231 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 93.6 mt -94.2 -19.72 20.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.025 0.441 . . . . 0.0 111.105 -176.439 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 68.4 m -72.56 -32.25 65.91 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -176.01 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . 0.646 ' HG2' ' OD1' ' A' ' 422' ' ' ASP . 52.1 mmtt -59.68 -36.88 77.36 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.113 0.482 . . . . 0.0 110.416 178.328 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 426' ' ' GLU . . . . . 0.559 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 40.7 tt0 -77.66 -42.43 34.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.078 -175.238 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -62.61 -32.46 73.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.411 0.624 . . . . 0.0 109.701 174.672 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 428' ' ' ARG . . . . . 0.552 ' O ' HG23 ' A' ' 432' ' ' VAL . 23.9 ttm180 -75.6 -45.06 39.72 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.802 -177.561 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.6 pp -60.63 -33.43 72.76 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.52 179.258 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 430' ' ' TRP . . . . . 0.457 ' N ' HD12 ' A' ' 429' ' ' LEU . 2.2 t90 -75.27 -33.08 61.23 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.326 178.52 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -59.01 -51.76 68.7 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 174.553 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 428' ' ' ARG . 32.6 t -58.69 -48.95 84.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.556 178.212 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -62.07 -44.25 97.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.242 -175.818 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 434' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -70.36 -24.66 63.01 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.788 -175.757 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 435' ' ' ILE . . . . . . . . . . . . . 74.8 mt -78.09 -56.21 8.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.625 -0.262 . . . . 0.0 110.683 178.029 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . 0.488 HD23 HG12 ' A' ' 432' ' ' VAL . 4.5 pp -61.47 -29.99 70.32 Favored 'General case' 0 N--CA 1.461 0.112 0 CA-C-O 120.834 0.349 . . . . 0.0 110.965 -179.241 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . 0.61 ' HA ' ' NZ ' ' A' ' 440' ' ' LYS . 96.7 m -71.28 -58.42 3.55 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.645 177.369 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -58.89 -32.03 69.14 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.931 0.396 . . . . 0.0 110.981 -176.825 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 439' ' ' LEU . . . . . 0.461 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 26.1 tp -66.69 -60.72 2.44 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.605 -179.756 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 440' ' ' LYS . . . . . 0.61 ' NZ ' ' HA ' ' A' ' 437' ' ' THR . 26.3 pttm -64.82 -28.34 69.49 Favored 'General case' 0 CA--C 1.517 -0.293 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.432 -175.712 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 441' ' ' ARG . . . . . 0.482 ' HG2' ' O ' ' A' ' 437' ' ' THR . 38.4 mmt180 -62.96 -60.14 3.87 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.263 178.083 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 442' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 442' ' ' LYS . 3.2 mptp? -80.17 0.1 33.74 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -174.89 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 58.7 mt . . . . . 0 C--N 1.325 -0.46 0 CA-C-O 120.666 0.27 . . . . 0.0 110.715 172.801 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . 0.712 HE21 HD12 ' A' ' 443' ' ' LEU . 18.6 mm-40 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -70.75 -18.73 62.77 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.461 176.316 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.89 -57.75 14.72 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 111.409 -0.677 . . . . 0.0 111.409 179.246 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.547 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -70.44 -34.16 56.73 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.651 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 177.019 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . 0.822 ' HA ' ' HE2' ' A' ' 399' ' ' LYS . 0.4 OUTLIER -54.57 -48.46 72.05 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.785 0.326 . . . . 0.0 111.594 -179.294 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . 0.446 ' OE1' ' HD2' ' A' ' 403' ' ' ARG . 4.7 tp10 -73.46 -47.58 40.41 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-O 121.235 0.541 . . . . 0.0 110.16 -177.74 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -60.2 -43.47 95.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.094 179.798 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 402' ' ' ILE . . . . . 0.547 HD12 HD11 ' A' ' 398' ' ' ILE . 13.2 tt -65.74 -29.39 46.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 O-C-N 123.114 0.258 . . . . 0.0 110.475 -176.964 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.605 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 62.4 mtt180 -57.74 -51.77 68.21 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 172.686 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . 0.407 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 3.3 mmp_? -68.34 -44.19 75.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.062 178.995 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 405' ' ' GLN . . . . . 0.482 ' OE1' ' HB3' ' A' ' 436' ' ' LEU . 98.7 mt-30 -61.36 -51.5 68.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.702 -177.694 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . 0.449 ' HG3' HG12 ' A' ' 402' ' ' ILE . 48.2 mt-10 -69.73 -23.03 63.34 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.693 179.617 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.605 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.8 t80 -68.56 -50.25 53.27 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 176.741 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . 0.762 HD11 HG11 ' A' ' 432' ' ' VAL . 3.5 pp -73.43 -27.68 61.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.593 177.617 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 409' ' ' LEU . . . . . 0.405 ' N ' HD12 ' A' ' 408' ' ' LEU . 8.0 tt -64.98 -42.69 94.31 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 174.328 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 410' ' ' ASN . . . . . 0.526 ' O ' ' HG3' ' A' ' 414' ' ' ARG . 2.3 t-20 -60.74 -47.86 84.38 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.198 172.714 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 23.0 t -56.8 -54.64 44.1 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.689 179.322 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.872 HD11 ' HB3' ' A' ' 429' ' ' LEU . 4.5 pp -65.95 -24.37 66.79 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 120.765 0.317 . . . . 0.0 111.402 -178.468 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . 0.42 ' N ' HD12 ' A' ' 412' ' ' LEU . 1.9 m170 -68.04 -36.33 79.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.778 0.323 . . . . 0.0 110.65 173.412 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 414' ' ' ARG . . . . . 0.526 ' HG3' ' O ' ' A' ' 410' ' ' ASN . 67.8 mtt180 -68.97 -23.87 64.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.99 176.88 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -76.88 -26.06 53.78 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.476 175.969 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.513 HD21 ' HB2' ' A' ' 425' ' ' LYS . 58.3 mt . . . . . 0 C--N 1.322 -0.604 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -175.724 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . 0.673 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 9.8 t70 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 70.1 mt -105.2 -18.23 14.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.945 0.402 . . . . 0.0 110.706 -176.955 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 44.4 t -67.41 -46.27 73.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.347 -177.326 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . 0.673 ' HD3' ' OD1' ' A' ' 422' ' ' ASP . 11.3 mptt -64.21 -27.03 68.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.675 -179.821 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 426' ' ' GLU . . . . . 0.564 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 34.4 tt0 -69.29 -51.42 37.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.018 0.437 . . . . 0.0 110.507 -177.506 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -68.17 -23.02 64.81 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.387 178.429 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -74.83 -48.27 26.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.122 178.43 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.872 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.5 pp -63.48 -31.67 72.9 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.175 -179.551 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -76.47 -29.81 57.04 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.404 -179.962 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.469 ' O ' HG13 ' A' ' 435' ' ' ILE . 9.4 tp10 -66.03 -58.05 6.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.06 0.457 . . . . 0.0 109.772 178.559 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.762 HG11 HD11 ' A' ' 408' ' ' LEU . 28.3 m -63.8 -29.6 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.947 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . 0.442 ' HB2' ' O ' ' A' ' 429' ' ' LEU . 8.4 tt0 -65.24 -52.73 52.68 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.473 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 434' ' ' ARG . . . . . . . . . . . . . 40.4 ptt180 -67.71 -23.18 65.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.962 -176.074 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 435' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 431' ' ' GLU . 81.7 mt -76.01 -56.49 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.714 -0.221 . . . . 0.0 110.476 176.022 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . 0.482 ' HB3' ' OE1' ' A' ' 405' ' ' GLN . 4.5 pp -61.15 -35.21 76.47 Favored 'General case' 0 N--CA 1.457 -0.093 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.323 -179.023 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 88.3 m -66.68 -60.98 2.22 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.559 177.39 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -58.27 -42.21 86.01 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.224 -174.591 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 439' ' ' LEU . . . . . 0.629 ' O ' ' HB2' ' A' ' 443' ' ' LEU . 45.4 tp -63.24 -57.96 8.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.255 -176.609 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 440' ' ' LYS . . . . . 0.474 ' HB3' HG13 ' A' ' 398' ' ' ILE . 17.1 pttp -67.03 -28.44 68.23 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.699 0.285 . . . . 0.0 111.699 -173.575 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 27.7 mmm180 -71.57 -48.62 47.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.591 -179.822 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -74.26 -13.51 60.78 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.952 0.405 . . . . 0.0 110.983 178.332 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . 0.712 HD12 HE21 ' A' ' 395' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.789 -177.516 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . 0.667 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 24.5 mm-40 . . . . . 0 C--O 1.233 0.225 0 CA-C-O 120.978 0.418 . . . . 0.0 109.9 . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -66.45 -16.01 63.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.377 176.181 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.73 -56.8 12.94 Favored Glycine 0 N--CA 1.448 -0.567 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.744 178.1 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -25.61 36.42 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.759 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.299 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . 0.667 ' HG2' ' O ' ' A' ' 395' ' ' GLN . 31.9 mmtp -59.83 -50.21 74.68 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.598 176.7 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 404' ' ' ARG . 9.3 tt0 -65.85 -49.46 68.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.065 0.46 . . . . 0.0 109.811 176.27 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -60.21 -43.18 96.2 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.715 -175.857 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 402' ' ' ILE . . . . . 0.659 HG13 HD22 ' A' ' 436' ' ' LEU . 11.6 tt -67.43 -34.15 66.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 120.996 -0.282 . . . . 0.0 110.596 -177.804 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.614 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 98.4 mtt180 -63.11 -39.96 96.22 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.2 178.001 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 400' ' ' GLU . 13.6 ptm180 -86.21 -26.12 25.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.719 -178.66 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 405' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -76.16 -47.08 25.58 Favored 'General case' 0 C--O 1.223 -0.335 0 O-C-N 122.315 -0.241 . . . . 0.0 110.473 174.568 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -64.84 -24.72 67.63 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 174.597 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.614 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.2 t80 -60.81 -58.36 8.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.551 175.56 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . 0.476 HD12 ' N ' ' A' ' 409' ' ' LEU . 2.4 pp -72.16 -28.21 63.08 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.083 -179.822 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 409' ' ' LEU . . . . . 0.61 ' O ' ' HB2' ' A' ' 413' ' ' HIS . 7.7 tt -62.63 -44.74 95.52 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 175.85 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.74 -48.52 80.91 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.686 174.103 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 22.5 m -59.57 -50.96 71.88 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.061 -178.596 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.898 HD11 ' HB3' ' A' ' 429' ' ' LEU . 4.4 pp -66.32 -32.2 73.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.983 0.42 . . . . 0.0 110.423 179.046 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . 0.61 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 3.3 t-160 -65.27 -38.13 89.34 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.443 179.172 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 32.4 mmt-85 -81.96 -11.72 58.72 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.824 179.272 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -77.09 -15.99 59.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.509 175.47 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.861 HD21 ' HB2' ' A' ' 425' ' ' LYS . 37.8 mt . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.245 179.318 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . 0.577 ' OD2' ' HG2' ' A' ' 425' ' ' LYS . 34.8 t70 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 121.241 0.543 . . . . 0.0 110.034 . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 9.0 mp -78.95 -13.2 59.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.542 -178.676 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 2.1 m -57.84 -51.01 71.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.646 -179.631 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . 0.861 ' HB2' HD21 ' A' ' 416' ' ' LEU . 33.1 mmtm -63.96 -26.99 68.83 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-O 120.761 0.315 . . . . 0.0 111.081 -178.471 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 426' ' ' GLU . . . . . 0.623 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 38.7 tt0 -70.92 -46.12 63.05 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.076 0.465 . . . . 0.0 110.464 -175.31 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -64.15 -33.2 75.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.292 0.567 . . . . 0.0 109.793 175.448 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 428' ' ' ARG . . . . . 0.532 ' O ' HG22 ' A' ' 432' ' ' VAL . 35.4 mmt180 -74.07 -42.64 59.87 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.055 -177.27 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.898 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.2 pp -61.19 -35.68 77.82 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.73 179.863 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -78.56 -27.73 45.85 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 119.935 -0.706 . . . . 0.0 110.424 178.836 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.546 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 44.1 tt0 -65.43 -58.18 6.48 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.363 -179.893 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.532 HG22 ' O ' ' A' ' 428' ' ' ARG . 3.2 m -63.55 -33.71 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.08 178.732 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -61.79 -50.36 72.65 Favored 'General case' 0 CA--C 1.516 -0.34 0 O-C-N 123.423 0.452 . . . . 0.0 110.039 179.804 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 434' ' ' ARG . . . . . 0.546 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 14.7 ptm180 -67.31 -32.39 73.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.561 -176.308 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 435' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 431' ' ' GLU . 79.2 mt -69.67 -57.62 7.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.262 179.97 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . 0.659 HD22 HG13 ' A' ' 402' ' ' ILE . 4.6 pp -60.47 -28.46 68.35 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.761 0.315 . . . . 0.0 110.946 179.762 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . 0.565 ' HA ' ' NZ ' ' A' ' 440' ' ' LYS . 93.1 m -70.66 -58.22 3.88 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.75 -0.205 . . . . 0.0 110.912 176.452 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -58.4 -38.31 77.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.685 0.279 . . . . 0.0 110.814 -177.515 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 35.4 tp -63.23 -62.5 1.65 Allowed 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.118 -177.704 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 440' ' ' LYS . . . . . 0.565 ' NZ ' ' HA ' ' A' ' 437' ' ' THR . 26.1 pttm -61.85 -32.89 73.27 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.855 0.36 . . . . 0.0 111.916 -173.232 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -72.14 -53.44 12.72 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.716 -179.337 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -70.96 -28.09 64.21 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.21 -0.196 . . . . 0.0 111.523 -178.48 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 26.4 tp . . . . . 0 C--N 1.324 -0.527 0 CA-C-O 120.601 0.239 . . . . 0.0 110.777 179.909 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . 0.431 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.236 0.388 0 CA-C-O 121.46 0.647 . . . . 0.0 109.615 . . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -67.65 -12.24 60.0 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.594 177.927 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.47 -58.94 8.99 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 111.426 -0.67 . . . . 0.0 111.426 178.107 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.524 ' CD1' ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -64.64 -35.26 74.31 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.631 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.897 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . 0.619 ' O ' ' HG3' ' A' ' 403' ' ' ARG . 34.1 mmtp -55.32 -55.03 36.15 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 120.759 0.314 . . . . 0.0 110.722 178.431 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -61.2 -54.14 47.99 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 121.301 0.572 . . . . 0.0 110.658 178.164 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 401' ' ' GLU . . . . . 0.529 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 44.3 mt-10 -58.89 -48.14 82.48 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.451 -176.586 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 402' ' ' ILE . . . . . 0.46 HD12 HD11 ' A' ' 398' ' ' ILE . 11.9 tt -64.92 -34.21 68.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 111.562 0.208 . . . . 0.0 111.562 -172.087 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.619 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 70.6 mtp180 -63.05 -40.97 99.3 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.98 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . 0.419 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 79.3 mtt180 -72.29 -40.99 67.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.538 176.582 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 405' ' ' GLN . . . . . 0.529 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 92.9 mt-30 -61.97 -55.86 25.05 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.204 179.166 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . 0.456 ' HA ' ' HB3' ' A' ' 409' ' ' LEU . 45.5 mt-10 -65.33 -23.89 67.12 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.795 -178.253 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.543 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.0 t80 -62.75 -55.07 29.97 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 174.304 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . 0.437 HD12 ' N ' ' A' ' 409' ' ' LEU . 2.9 pp -74.58 -24.99 58.99 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.129 179.13 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 409' ' ' LEU . . . . . 0.456 ' HB3' ' HA ' ' A' ' 406' ' ' GLU . 29.2 tp -61.03 -50.15 74.52 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 174.728 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -57.11 -41.11 78.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.025 174.558 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 22.2 t -63.71 -51.67 63.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.163 -178.345 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.593 HD11 ' HB3' ' A' ' 429' ' ' LEU . 4.4 pp -69.1 -19.8 64.06 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -178.148 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . 0.4 ' HA ' HD12 ' A' ' 416' ' ' LEU . 3.9 m-70 -68.4 -37.44 80.37 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.098 0.475 . . . . 0.0 110.193 171.776 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -73.27 -20.51 60.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.383 175.011 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 415' ' ' ASP . . . . . 0.591 ' OD2' ' HE3' ' A' ' 425' ' ' LYS . 16.1 t70 -90.21 12.8 16.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.565 0.698 . . . . 0.0 109.741 179.202 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.614 HD21 ' HB2' ' A' ' 425' ' ' LYS . 87.3 mt . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.028 174.361 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 . . . . . 0 N--CA 1.455 -0.217 0 CA-C-O 121.343 0.592 . . . . 0.0 111.414 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 5.5 mp -136.74 -65.53 0.55 Allowed 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.687 0.756 . . . . 0.0 109.579 175.13 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 13.7 m -62.53 -36.88 83.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.739 -1.118 . . . . 0.0 111.66 -174.25 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . 0.614 ' HB2' HD21 ' A' ' 416' ' ' LEU . 63.9 mmtt -63.3 -34.18 77.12 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.657 0.265 . . . . 0.0 111.129 -175.013 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 426' ' ' GLU . . . . . 0.634 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 39.4 tt0 -74.45 -45.4 46.56 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -178.432 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -65.0 -30.36 71.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.25 0.547 . . . . 0.0 110.165 176.354 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 428' ' ' ARG . . . . . 0.497 ' O ' HG23 ' A' ' 432' ' ' VAL . 14.4 tpt180 -71.61 -45.05 63.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.353 -179.952 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 3.8 pp -64.33 -35.14 79.9 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.986 -176.017 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -73.23 -32.9 65.03 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 121.318 0.58 . . . . 0.0 109.544 179.246 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.524 ' O ' HG13 ' A' ' 435' ' ' ILE . 42.0 tt0 -65.59 -50.1 66.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.622 174.61 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 428' ' ' ARG . 94.7 t -58.16 -46.07 88.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.385 176.979 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -62.06 -44.96 95.55 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.825 -177.311 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 434' ' ' ARG . . . . . 0.479 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 12.8 ptm180 -69.38 -24.61 63.89 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.734 -176.957 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 435' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 431' ' ' GLU . 84.5 mt -76.82 -57.05 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 121.083 -0.247 . . . . 0.0 110.605 176.456 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . 0.523 ' HB3' ' OE1' ' A' ' 405' ' ' GLN . 4.4 pp -58.19 -35.86 72.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.148 -177.24 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . 0.461 ' O ' ' HG2' ' A' ' 441' ' ' ARG . 32.2 m -71.14 -53.41 14.64 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.632 179.044 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -64.21 -34.99 79.37 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.737 0.304 . . . . 0.0 111.111 -176.691 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 439' ' ' LEU . . . . . 0.539 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 27.4 tp -64.91 -56.16 14.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.557 -177.044 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 440' ' ' LYS . . . . . 0.524 ' HB3' ' CD1' ' A' ' 398' ' ' ILE . 58.0 pttt -63.26 -31.77 73.01 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.51 -178.154 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 441' ' ' ARG . . . . . 0.461 ' HG2' ' O ' ' A' ' 437' ' ' THR . 23.4 mmt180 -70.52 -39.61 73.96 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.942 0.401 . . . . 0.0 110.693 179.208 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -81.64 -6.19 58.77 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.238 179.345 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 86.9 mt . . . . . 0 C--N 1.33 -0.24 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 179.324 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . 0.724 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 27.6 mm-40 . . . . . 0 CA--C 1.518 -0.284 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -54.83 -29.31 54.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.829 172.619 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.15 -58.31 12.23 Favored Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.232 -179.995 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.487 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -66.25 -31.53 54.02 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.685 0 N-CA-C 110.484 -0.191 . . . . 0.0 110.484 -177.945 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . 0.724 ' HG2' ' O ' ' A' ' 395' ' ' GLN . 30.6 mmtp -62.36 -42.51 99.46 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.904 -179.456 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -74.0 -45.43 49.98 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.285 0.564 . . . . 0.0 109.736 178.114 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 401' ' ' GLU . . . . . 0.478 ' HB3' HE21 ' A' ' 405' ' ' GLN . 5.8 mm-40 -57.51 -43.66 84.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.018 178.098 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 402' ' ' ILE . . . . . 0.61 HG13 HD22 ' A' ' 436' ' ' LEU . 12.7 tt -69.2 -35.19 66.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.078 -174.245 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.54 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 73.6 mtt180 -60.16 -44.47 94.97 Favored 'General case' 0 CA--C 1.521 -0.168 0 C-N-CA 120.069 -0.652 . . . . 0.0 110.055 175.843 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 61.5 mtm-85 -72.51 -40.76 66.59 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.067 178.633 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 405' ' ' GLN . . . . . 0.478 HE21 ' HB3' ' A' ' 401' ' ' GLU . 45.3 mt-30 -72.92 -32.22 65.16 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -176.9 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . 0.628 ' HA ' ' HB3' ' A' ' 409' ' ' LEU . 46.4 mt-10 -83.69 -15.7 47.76 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.279 -0.569 . . . . 0.0 110.267 175.566 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.54 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 6.3 t80 -68.46 -56.45 8.38 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 173.962 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . 0.676 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.2 pp -67.64 -27.92 67.28 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.347 176.192 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 409' ' ' LEU . . . . . 0.628 ' HB3' ' HA ' ' A' ' 406' ' ' GLU . 15.0 tp -55.69 -48.42 75.13 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.026 -0.533 . . . . 0.0 109.936 174.976 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -58.84 -42.77 90.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.085 179.532 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . 0.438 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 12.1 m -57.26 -57.11 14.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.107 177.42 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.676 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 8.0 mt -55.24 -46.29 76.02 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-O 122.001 0.905 . . . . 0.0 110.258 178.126 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -57.76 -49.38 76.76 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 113.82 -1.536 . . . . 0.0 111.195 -177.531 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 414' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 411' ' ' SER . 14.6 ptt180 -75.85 -18.57 59.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.223 -178.014 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -72.94 -10.17 59.51 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.739 -0.209 . . . . 0.0 110.998 177.313 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.533 HD21 ' HB2' ' A' ' 425' ' ' LYS . 82.5 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-O 120.851 0.358 . . . . 0.0 111.172 179.487 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . 0.492 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 10.5 t70 . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.7 mp -105.38 -28.95 10.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.885 0.374 . . . . 0.0 110.608 -179.394 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 424' ' ' SER . . . . . 0.501 ' HA ' ' HG2' ' A' ' 427' ' ' GLU . 73.8 m -73.69 -31.67 63.54 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.908 -174.127 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . 0.533 ' HB2' HD21 ' A' ' 416' ' ' LEU . 47.2 mmtm -65.94 -32.89 74.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.032 0.444 . . . . 0.0 109.981 175.266 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 426' ' ' GLU . . . . . 0.515 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 37.1 tt0 -73.59 -46.01 49.77 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.46 -175.699 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . 0.501 ' HG2' ' HA ' ' A' ' 424' ' ' SER . 17.2 pt-20 -69.5 -23.81 63.67 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.029 178.646 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -78.54 -50.4 11.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.478 -179.457 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.617 ' HB2' HD12 ' A' ' 409' ' ' LEU . 4.1 pp -57.66 -37.26 73.08 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.017 177.931 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -75.65 -30.18 59.38 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.671 -179.653 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.423 ' O ' HG13 ' A' ' 435' ' ' ILE . 45.1 tt0 -61.35 -55.94 25.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.143 178.302 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.441 HG11 HD11 ' A' ' 408' ' ' LEU . 17.9 m -66.36 -32.77 59.55 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.797 -179.323 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -65.56 -48.5 72.18 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 120.858 0.361 . . . . 0.0 110.249 -178.882 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 434' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -66.72 -28.44 68.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.658 -177.635 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 435' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 431' ' ' GLU . 81.3 mt -75.44 -53.9 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.384 177.989 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . 0.61 HD22 HG13 ' A' ' 402' ' ' ILE . 4.5 pp -61.7 -31.33 71.46 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.627 -178.432 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . 0.677 ' O ' ' HG2' ' A' ' 441' ' ' ARG . 56.9 m -69.67 -60.06 2.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.711 177.212 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -57.58 -37.73 73.68 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-O 120.656 0.265 . . . . 0.0 111.322 -177.472 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 439' ' ' LEU . . . . . 0.434 HD23 ' HB ' ' A' ' 398' ' ' ILE . 37.3 tp -60.89 -58.62 7.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -178.1 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 440' ' ' LYS . . . . . 0.451 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 58.6 pttt -60.7 -34.56 74.56 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.889 0.376 . . . . 0.0 111.032 -176.487 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 441' ' ' ARG . . . . . 0.677 ' HG2' ' O ' ' A' ' 437' ' ' THR . 13.7 mmm180 -68.79 -50.66 48.46 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.856 -176.965 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -70.07 -19.66 63.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.679 0.276 . . . . 0.0 111.259 179.516 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 C--N 1.324 -0.536 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -178.746 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . 0.419 ' HA ' ' NE2' ' A' ' 395' ' ' GLN . 1.9 mm-40 . . . . . 0 CA--C 1.514 -0.428 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -67.52 -20.24 65.41 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.481 172.028 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.38 -59.28 8.53 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.473 177.717 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.571 ' HB ' HD23 ' A' ' 439' ' ' LEU . 10.2 tp -69.74 -21.22 24.15 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.687 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 178.259 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . 0.777 ' HA ' ' HE3' ' A' ' 399' ' ' LYS . 0.1 OUTLIER -57.23 -63.53 1.19 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.02 0.438 . . . . 0.0 110.27 175.052 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -66.76 -41.3 87.97 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.602 -179.729 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 401' ' ' GLU . . . . . 0.579 ' HB3' HE21 ' A' ' 405' ' ' GLN . 27.4 mt-10 -60.66 -47.9 84.18 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.279 179.486 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 402' ' ' ILE . . . . . 0.431 ' HA ' ' HB2' ' A' ' 405' ' ' GLN . 9.1 tt -64.91 -29.21 46.73 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.37 0 C-N-CA 121.095 -0.242 . . . . 0.0 110.861 -175.003 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.52 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 97.2 mtt180 -59.17 -48.25 82.31 Favored 'General case' 0 CA--C 1.522 -0.115 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 173.037 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . 0.475 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 79.4 mtp180 -70.26 -44.27 68.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.077 178.499 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 405' ' ' GLN . . . . . 0.579 HE21 ' HB3' ' A' ' 401' ' ' GLU . 76.1 mt-30 -60.68 -52.92 63.06 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.505 -179.319 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . 0.416 ' HG2' HG12 ' A' ' 402' ' ' ILE . 8.9 mm-40 -61.55 -32.37 72.45 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 118.056 0.389 . . . . 0.0 110.321 178.059 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.52 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.4 t80 -61.53 -56.36 20.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.813 -179.396 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . 0.646 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.0 pp -72.83 -29.11 62.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.77 178.884 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 409' ' ' LEU . . . . . 0.523 ' N ' HD12 ' A' ' 408' ' ' LEU . 34.0 tp -58.02 -51.62 68.9 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.223 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -62.82 -37.66 87.64 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.965 178.715 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . 0.611 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 50.1 m -61.68 -52.88 62.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.311 -179.46 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.702 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 3.4 pp -79.63 -14.73 58.6 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.156 -0.618 . . . . 0.0 111.355 -178.998 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . 0.507 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 15.9 t-160 -73.48 -34.29 65.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.78 0.324 . . . . 0.0 110.366 174.519 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 414' ' ' ARG . . . . . 0.611 ' HG2' ' O ' ' A' ' 411' ' ' SER . 31.7 ptt180 -82.0 -20.42 38.49 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 176.259 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -81.1 26.7 0.43 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.488 179.269 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.568 HD21 ' HB3' ' A' ' 425' ' ' LYS . 88.1 mt . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.6 175.355 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . 0.409 ' OD1' ' HB2' ' A' ' 425' ' ' LYS . 9.8 t70 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 91.4 mt -106.99 -41.15 5.26 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.901 0.381 . . . . 0.0 111.266 -177.482 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 424' ' ' SER . . . . . 0.441 ' HA ' ' OE2' ' A' ' 427' ' ' GLU . 74.5 m -69.32 -24.7 63.96 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.518 -177.143 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . 0.702 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 0.1 OUTLIER -59.56 -32.62 70.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.463 0.649 . . . . 0.0 109.475 174.075 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 426' ' ' GLU . . . . . 0.612 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 44.6 tt0 -81.63 -35.31 30.18 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.966 -1.016 . . . . 0.0 109.85 -177.679 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . 0.441 ' OE2' ' HA ' ' A' ' 424' ' ' SER . 32.1 mt-10 -63.0 -30.4 71.57 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.748 0.785 . . . . 0.0 109.031 173.316 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 428' ' ' ARG . . . . . 0.444 ' O ' HG23 ' A' ' 432' ' ' VAL . 80.6 mtt180 -80.81 -40.78 24.41 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.704 -177.01 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.6 pp -60.82 -31.87 71.26 Favored 'General case' 0 CA--C 1.52 -0.191 0 C-N-CA 120.405 -0.518 . . . . 0.0 109.972 174.936 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 430' ' ' TRP . . . . . 0.449 ' N ' HD12 ' A' ' 429' ' ' LEU . 3.3 t90 -73.67 -35.76 65.26 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.169 178.79 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -59.99 -49.6 77.05 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.57 175.549 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 428' ' ' ARG . 63.7 t -58.37 -48.68 84.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.74 176.948 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -61.99 -44.68 96.22 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.856 -174.373 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 434' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -70.65 -30.07 66.6 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.033 -175.476 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 435' ' ' ILE . . . . . . . . . . . . . 77.2 mt -70.47 -53.27 23.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.02 177.961 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . 0.465 HD12 ' N ' ' A' ' 437' ' ' THR . 4.4 pp -62.4 -33.02 73.96 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.709 0.29 . . . . 0.0 110.766 179.888 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . 0.465 ' N ' HD12 ' A' ' 436' ' ' LEU . 100.0 m -65.87 -59.23 4.07 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.665 176.293 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -56.59 -37.96 71.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.746 0.307 . . . . 0.0 111.784 -176.463 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 439' ' ' LEU . . . . . 0.571 HD23 ' HB ' ' A' ' 398' ' ' ILE . 24.8 tp -73.19 -56.31 5.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.463 -175.547 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 440' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' A' ' 436' ' ' LEU . 61.1 pttt -67.23 -31.45 71.82 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.26 -173.925 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 42.1 mmt180 -72.06 -43.88 64.2 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.056 -178.752 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -84.14 -11.76 56.07 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -177.267 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 C--N 1.326 -0.436 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.878 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . 0.455 ' O ' ' HD3' ' A' ' 399' ' ' LYS . 24.6 mm-40 . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 120.911 0.386 . . . . 0.0 110.044 . . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -64.66 -21.62 66.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.131 174.446 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.01 -59.72 8.18 Favored Glycine 0 N--CA 1.445 -0.714 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.826 178.803 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.502 ' O ' ' HB ' ' A' ' 402' ' ' ILE . 0.0 OUTLIER -66.93 -28.64 43.64 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.873 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 -179.46 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . 0.693 ' O ' HG22 ' A' ' 402' ' ' ILE . 1.1 mptm? -64.3 -45.25 88.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.795 0.331 . . . . 0.0 111.267 178.659 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -70.88 -42.99 69.3 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.019 177.698 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -73.37 -23.38 60.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.779 -177.619 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 402' ' ' ILE . . . . . 0.693 HG22 ' O ' ' A' ' 399' ' ' LYS . 9.7 tp -71.41 -37.32 64.45 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.262 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 176.995 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.666 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 70.2 mtp180 -60.88 -46.62 89.9 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 174.46 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 55.3 mtt-85 -62.7 -52.24 64.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.156 179.148 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 405' ' ' GLN . . . . . 0.635 ' O ' ' HB2' ' A' ' 409' ' ' LEU . 41.8 mt-30 -68.81 -43.59 75.27 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.287 -174.204 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -73.99 -16.09 61.08 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.166 -0.614 . . . . 0.0 110.33 179.672 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.666 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 14.5 t80 -68.67 -60.84 2.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.229 177.135 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . 0.573 HD23 ' O ' ' A' ' 405' ' ' GLN . 2.1 pt? -73.23 -26.07 60.98 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.249 -179.2 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 409' ' ' LEU . . . . . 0.635 ' HB2' ' O ' ' A' ' 405' ' ' GLN . 5.5 tt -58.04 -45.63 86.68 Favored 'General case' 0 C--O 1.219 -0.512 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 174.848 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -59.04 -43.84 91.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.756 176.081 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . 0.456 ' O ' ' HG3' ' A' ' 414' ' ' ARG . 22.9 t -62.6 -57.77 9.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.738 179.193 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.59 HD22 ' HB3' ' A' ' 428' ' ' ARG . 4.3 pp -64.91 -20.68 66.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.956 0.408 . . . . 0.0 111.387 -179.717 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 15.9 t-160 -73.53 -40.88 63.67 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 175.412 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 414' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' A' ' 411' ' ' SER . 4.2 ppt_? -79.51 -3.71 48.0 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.173 0.511 . . . . 0.0 110.458 177.429 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -89.68 9.98 25.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.049 171.378 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 97.2 mt . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.057 175.898 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . 0.574 ' CG ' ' HD3' ' A' ' 425' ' ' LYS . 10.3 t70 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 . . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 88.3 mt -105.24 -28.11 11.14 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.047 0.451 . . . . 0.0 111.062 -176.779 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 424' ' ' SER . . . . . 0.406 ' O ' ' HG3' ' A' ' 428' ' ' ARG . 71.5 m -79.42 -23.54 43.13 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.206 -0.452 . . . . 0.0 112.208 -173.131 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . 0.574 ' HD3' ' CG ' ' A' ' 422' ' ' ASP . 10.2 mptt -60.96 -33.07 72.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.491 0.662 . . . . 0.0 109.85 171.702 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 426' ' ' GLU . . . . . 0.601 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 45.2 tt0 -75.28 -39.79 59.34 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.565 179.808 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.22 -33.7 75.07 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 174.497 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 428' ' ' ARG . . . . . 0.59 ' HB3' HD22 ' A' ' 412' ' ' LEU . 27.3 mtp180 -71.37 -45.87 61.8 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.183 -176.447 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.5 pp -62.23 -31.68 72.26 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.133 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 430' ' ' TRP . . . . . 0.414 ' N ' HD12 ' A' ' 429' ' ' LEU . 3.0 t90 -75.44 -31.25 60.26 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.731 179.219 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 9.6 tp10 -64.26 -57.4 9.56 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.813 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.543 ' O ' ' HG ' ' A' ' 436' ' ' LEU . 3.9 m -67.17 -30.3 48.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.366 178.921 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . 0.545 ' HB2' ' O ' ' A' ' 429' ' ' LEU . 8.5 tt0 -59.25 -48.98 79.6 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-O 121.017 0.437 . . . . 0.0 109.927 -179.419 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 434' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 35.4 ptt180 -71.79 -29.12 64.12 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.522 -176.131 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 435' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 431' ' ' GLU . 74.2 mt -74.03 -59.67 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 121.206 -0.198 . . . . 0.0 111.399 179.639 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . 0.557 HD12 ' N ' ' A' ' 437' ' ' THR . 4.6 pp -57.84 -35.9 71.55 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.485 0.183 . . . . 0.0 111.486 -179.42 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . 0.557 ' N ' HD12 ' A' ' 436' ' ' LEU . 93.8 m -70.56 -50.77 33.94 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.027 179.775 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -65.31 -36.42 83.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.879 0.371 . . . . 0.0 110.776 -176.623 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 439' ' ' LEU . . . . . 0.556 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 27.1 tp -61.99 -57.57 11.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.499 -177.929 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 440' ' ' LYS . . . . . 0.474 ' HB3' HG13 ' A' ' 398' ' ' ILE . 51.9 pttt -62.58 -30.45 71.34 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.759 0.314 . . . . 0.0 111.229 -178.2 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -70.86 -49.56 44.78 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.52 -178.67 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -70.66 -25.81 63.17 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.563 -179.667 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 64.0 mt . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -177.638 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 . . . . . 0 C--O 1.238 0.482 0 CA-C-O 121.608 0.718 . . . . 0.0 109.149 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . 0.584 ' HA ' ' HB2' ' A' ' 399' ' ' LYS . . . -63.31 -13.18 35.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.897 173.977 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -59.43 -54.7 35.59 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.351 -0.7 . . . . 0.0 111.351 177.093 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.615 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -70.79 -34.55 56.77 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.713 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.112 177.425 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . 0.584 ' HB2' ' HA ' ' A' ' 396' ' ' ALA . 1.7 mptm? -57.76 -48.05 80.73 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.857 -179.918 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . 0.514 ' HA ' ' HD3' ' A' ' 403' ' ' ARG . 0.5 OUTLIER -70.0 -47.99 59.96 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.169 0.509 . . . . 0.0 109.904 -179.053 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -64.72 -36.65 84.98 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.818 -179.721 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 402' ' ' ILE . . . . . 0.707 HG13 HD13 ' A' ' 436' ' ' LEU . 13.9 tt -67.03 -29.73 47.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 117.849 0.295 . . . . 0.0 110.512 -178.42 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.57 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 26.8 mtp85 -60.15 -47.48 85.74 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 171.784 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 65.3 mtt180 -63.4 -49.93 71.87 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.772 176.487 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 405' ' ' GLN . . . . . 0.509 ' HG3' HD21 ' A' ' 436' ' ' LEU . 12.2 mm100 -65.59 -52.22 53.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.891 -1.05 . . . . 0.0 111.798 -173.924 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . 0.418 ' HG2' HG12 ' A' ' 402' ' ' ILE . 21.1 mm-40 -60.83 -29.37 69.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.752 0.31 . . . . 0.0 110.361 178.275 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.57 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.2 t80 -62.36 -55.47 27.67 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.037 0.446 . . . . 0.0 110.046 178.167 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . 0.498 HD12 ' N ' ' A' ' 409' ' ' LEU . 2.7 pp -73.55 -29.49 62.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.247 179.994 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 409' ' ' LEU . . . . . 0.498 ' N ' HD12 ' A' ' 408' ' ' LEU . 7.0 tt -62.49 -47.43 84.01 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 176.078 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -59.43 -38.06 79.71 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.591 175.326 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . 0.781 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 38.7 m -65.26 -55.47 18.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.962 179.952 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.577 ' HA ' ' OD2' ' A' ' 415' ' ' ASP . 4.3 pp -69.98 -17.76 63.3 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 121.834 -0.541 . . . . 0.0 111.217 179.041 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . 0.496 ' HD2' HD12 ' A' ' 416' ' ' LEU . 16.3 t-160 -74.49 -41.51 60.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.377 175.343 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 414' ' ' ARG . . . . . 0.781 ' HG2' ' O ' ' A' ' 411' ' ' SER . 27.2 ptt180 -69.27 -21.23 63.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.078 -179.129 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 415' ' ' ASP . . . . . 0.577 ' OD2' ' HA ' ' A' ' 412' ' ' LEU . 57.3 m-20 -58.79 -29.18 66.64 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.786 174.177 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.496 HD12 ' HD2' ' A' ' 413' ' ' HIS . 86.5 mt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.735 -176.44 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . 0.435 ' HB3' ' HD3' ' A' ' 425' ' ' LYS . 1.1 m-20 . . . . . 0 CA--C 1.515 -0.394 0 CA-C-O 121.361 0.6 . . . . 0.0 110.553 . . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 82.7 mt -74.05 -29.82 62.1 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.448 -178.171 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 424' ' ' SER . . . . . 0.564 ' O ' ' HB2' ' A' ' 428' ' ' ARG . 22.9 p -63.37 -38.11 89.89 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.801 -179.214 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . 0.461 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 5.1 mptp? -62.84 -42.41 99.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.187 0.518 . . . . 0.0 111.016 178.949 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 426' ' ' GLU . . . . . 0.551 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 9.8 tp10 -65.78 -51.28 60.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.272 -176.154 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.28 -23.16 66.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.638 178.506 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 428' ' ' ARG . . . . . 0.564 ' HB2' ' O ' ' A' ' 424' ' ' SER . 3.4 tpp180 -75.71 -49.84 17.09 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.493 -177.436 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.2 pp -60.46 -34.96 74.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.91 0.386 . . . . 0.0 110.458 -179.533 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -72.07 -31.27 65.95 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.284 179.912 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.606 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 18.8 tp10 -71.43 -43.76 66.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.751 176.502 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 428' ' ' ARG . 58.4 t -58.96 -44.86 92.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.163 0.506 . . . . 0.0 110.147 175.709 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -64.81 -42.78 94.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.156 -177.194 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 434' ' ' ARG . . . . . 0.606 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 3.6 ptm180 -67.49 -34.93 78.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.715 -177.326 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 435' ' ' ILE . . . . . . . . . . . . . 77.0 mt -65.76 -48.85 80.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-O 120.795 0.331 . . . . 0.0 110.129 176.129 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . 0.707 HD13 HG13 ' A' ' 402' ' ' ILE . 96.4 mt -57.18 -48.38 78.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.69 177.405 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 32.6 m -58.5 -49.08 78.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.291 -179.974 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.72 -46.4 89.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.963 0.411 . . . . 0.0 110.833 -179.779 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 439' ' ' LEU . . . . . 0.407 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 44.6 tp -64.29 -53.5 47.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.578 -177.172 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 440' ' ' LYS . . . . . 0.497 ' HB3' HG13 ' A' ' 398' ' ' ILE . 19.7 ptmt -60.46 -40.3 90.7 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -173.734 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 -77.65 -29.12 51.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.866 -175.416 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -75.55 -28.38 59.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.851 0.358 . . . . 0.0 110.65 175.718 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 89.8 mt . . . . . 0 C--N 1.324 -0.521 0 CA-C-O 120.989 0.423 . . . . 0.0 110.963 178.528 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . 0.438 ' O ' ' HB2' ' A' ' 399' ' ' LYS . 9.3 mm-40 . . . . . 0 CA--C 1.523 -0.089 0 CA-C-O 120.741 0.305 . . . . 0.0 110.391 . . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -63.14 -17.8 62.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.973 175.533 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.72 -60.2 8.1 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 111.509 -0.636 . . . . 0.0 111.509 178.355 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.657 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -72.27 -30.04 34.05 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.689 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 176.417 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . 0.86 ' HA ' ' HE2' ' A' ' 399' ' ' LYS . 0.0 OUTLIER -56.66 -52.82 63.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.72 0.295 . . . . 0.0 110.9 -177.69 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -72.49 -41.99 65.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.742 0.306 . . . . 0.0 110.529 -179.57 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 401' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 29.1 mm-40 -56.62 -49.57 74.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.213 177.379 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 402' ' ' ILE . . . . . 0.657 HD12 HD11 ' A' ' 398' ' ' ILE . 14.2 tt -66.37 -26.49 37.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.028 -175.429 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.657 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 97.5 mtt180 -58.36 -51.42 69.89 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 171.822 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -66.96 -49.52 65.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.4 179.295 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 405' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 76.2 mt-30 -60.44 -50.43 73.62 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.992 -175.908 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . 0.631 ' HA ' ' HB3' ' A' ' 409' ' ' LEU . 36.0 mt-10 -69.73 -25.44 63.84 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.409 -0.516 . . . . 0.0 111.052 179.944 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.582 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.7 t80 -64.84 -51.79 60.18 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 176.858 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . 0.721 HD11 HG21 ' A' ' 432' ' ' VAL . 3.6 pp -72.73 -31.59 65.07 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.554 177.119 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 409' ' ' LEU . . . . . 0.631 ' HB3' ' HA ' ' A' ' 406' ' ' GLU . 56.5 tp -57.56 -50.66 72.37 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.86 175.634 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 410' ' ' ASN . . . . . 0.437 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 11.4 t30 -62.83 -33.74 75.86 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.783 178.612 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 40.2 m -64.83 -49.11 71.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 177.627 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.705 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 9.6 mt -59.12 -48.62 80.95 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-O 122.052 0.93 . . . . 0.0 109.586 175.495 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . 0.42 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 1.6 t-160 -57.92 -43.38 86.23 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 113.619 -1.628 . . . . 0.0 111.722 -175.391 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 414' ' ' ARG . . . . . 0.437 ' HG2' ' O ' ' A' ' 410' ' ' ASN . 17.0 ptm180 -83.53 -13.43 54.54 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 121.149 -0.221 . . . . 0.0 111.276 -178.652 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -72.71 -17.27 61.64 Favored 'General case' 0 C--O 1.219 -0.511 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 -178.906 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.486 HD21 ' HB2' ' A' ' 425' ' ' LYS . 26.2 mt . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.426 178.308 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . 0.518 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 10.1 t70 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 121.114 0.483 . . . . 0.0 109.872 . . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 74.5 mt -86.36 -17.94 33.16 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -174.75 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 424' ' ' SER . . . . . 0.411 ' O ' ' HB2' ' A' ' 428' ' ' ARG . 72.7 m -66.77 -48.69 68.25 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.426 178.489 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . 0.518 ' HG2' ' OD1' ' A' ' 422' ' ' ASP . 22.8 mmtm -66.03 -35.9 81.81 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 120.989 0.423 . . . . 0.0 109.866 179.113 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 426' ' ' GLU . . . . . 0.61 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 9.4 tp10 -59.82 -57.58 12.26 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.756 -174.452 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -74.95 -20.51 59.65 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.547 -176.717 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 428' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' A' ' 424' ' ' SER . 19.8 tpt180 -77.92 -46.72 20.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.535 179.381 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.0 pp -57.9 -37.85 74.75 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 177.503 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -72.19 -31.3 65.77 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 121.105 0.479 . . . . 0.0 110.514 179.681 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.667 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 32.5 tt0 -72.28 -47.72 47.9 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.625 179.531 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.721 HG21 HD11 ' A' ' 408' ' ' LEU . 12.1 p -69.44 -28.91 39.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.94 0.4 . . . . 0.0 110.228 179.309 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -64.78 -44.31 90.42 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.222 177.868 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 434' ' ' ARG . . . . . 0.667 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 24.9 ptt180 -69.29 -25.85 64.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.335 -178.416 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 435' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 431' ' ' GLU . 81.1 mt -70.01 -59.84 3.08 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.111 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.839 176.853 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . 0.429 ' O ' ' HG2' ' A' ' 440' ' ' LYS . 4.4 pp -56.9 -31.91 65.37 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.46 0.172 . . . . 0.0 111.097 -179.454 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . 0.72 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 64.1 m -68.0 -57.15 6.63 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 121.186 -0.205 . . . . 0.0 110.983 177.355 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.61 -38.75 88.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.908 0.385 . . . . 0.0 110.34 -178.746 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 439' ' ' LEU . . . . . 0.486 ' HG ' ' HB ' ' A' ' 398' ' ' ILE . 30.9 tp -60.03 -54.06 50.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.117 -178.275 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 440' ' ' LYS . . . . . 0.72 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 52.0 pttt -64.55 -30.89 71.92 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.494 -176.895 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 441' ' ' ARG . . . . . 0.522 ' HG2' ' O ' ' A' ' 437' ' ' THR . 24.4 mmt180 -68.22 -52.72 30.97 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.296 -178.566 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -76.97 -16.35 59.36 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -178.329 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 C--N 1.327 -0.392 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.273 179.067 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 . . . . . 0 C--O 1.233 0.198 0 CA-C-O 121.408 0.623 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -67.25 -20.32 65.65 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 168.767 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.28 -57.54 14.9 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.508 176.572 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.45 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -65.5 -30.85 51.44 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.659 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.021 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . 0.518 ' O ' HG22 ' A' ' 402' ' ' ILE . 1.0 OUTLIER -57.56 -52.49 65.19 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -177.043 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -71.32 -40.98 70.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.969 0.414 . . . . 0.0 110.808 178.938 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -61.39 -41.71 97.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.958 178.87 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 402' ' ' ILE . . . . . 0.544 ' HA ' ' HB2' ' A' ' 405' ' ' GLN . 14.1 tt -70.03 -29.05 38.56 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.472 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.708 -176.708 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.576 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 93.7 mtt180 -60.95 -44.6 97.05 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 173.454 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -71.1 -43.2 68.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.544 177.59 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 405' ' ' GLN . . . . . 0.544 ' HB2' ' HA ' ' A' ' 402' ' ' ILE . 16.7 mt-30 -65.56 -50.91 63.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.843 -177.853 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -62.9 -31.45 72.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.8 0.333 . . . . 0.0 110.256 177.924 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.576 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.0 t80 -59.67 -55.37 35.18 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.898 177.242 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . 0.665 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.4 pp -73.08 -32.29 64.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.295 -179.419 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 409' ' ' LEU . . . . . 0.516 ' N ' HD12 ' A' ' 408' ' ' LEU . 7.2 tt -60.71 -50.97 71.36 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 177.873 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 410' ' ' ASN . . . . . 0.57 ' O ' ' HG3' ' A' ' 414' ' ' ARG . 6.2 t30 -57.37 -44.19 84.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.123 177.497 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 45.7 m -63.0 -55.75 23.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.639 -178.666 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 4.2 pp -71.35 -14.2 62.11 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 120.93 0.395 . . . . 0.0 110.996 -178.551 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 -71.77 -32.06 67.28 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 170.78 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 414' ' ' ARG . . . . . 0.57 ' HG3' ' O ' ' A' ' 410' ' ' ASN . 71.9 mtp180 -82.85 -14.96 53.34 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.292 178.079 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 415' ' ' ASP . . . . . 0.476 ' HB2' ' O ' ' A' ' 412' ' ' LEU . 0.7 OUTLIER -61.26 -18.45 58.45 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.712 171.79 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.668 HD21 ' HB2' ' A' ' 425' ' ' LYS . 36.7 mt . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.813 -178.345 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . 0.528 ' CG ' ' HG2' ' A' ' 425' ' ' LYS . 14.3 t0 . . . . . 0 N--CA 1.451 -0.381 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 . . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.4 mp -102.38 -18.91 15.18 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.125 0.488 . . . . 0.0 110.224 -179.572 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 424' ' ' SER . . . . . 0.458 ' HA ' ' OE2' ' A' ' 427' ' ' GLU . 68.3 m -76.81 -30.37 56.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.851 -174.867 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . 0.668 ' HB2' HD21 ' A' ' 416' ' ' LEU . 28.5 mmtp -64.09 -30.98 72.02 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 120.957 0.408 . . . . 0.0 109.905 175.281 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 426' ' ' GLU . . . . . 0.572 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 40.9 tt0 -73.4 -42.29 62.28 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -179.365 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . 0.458 ' OE2' ' HA ' ' A' ' 424' ' ' SER . 28.2 mt-10 -62.15 -33.44 74.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.652 173.644 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 428' ' ' ARG . . . . . 0.558 ' O ' HG12 ' A' ' 432' ' ' VAL . 42.4 ttt180 -75.47 -43.57 48.7 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.744 -175.083 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.6 pp -63.07 -29.53 70.88 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-O 120.776 0.322 . . . . 0.0 110.138 178.801 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -77.21 -30.49 54.68 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 120.251 -0.579 . . . . 0.0 110.239 177.569 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.557 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 24.8 tt0 -69.44 -51.66 34.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.376 179.793 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.558 HG12 ' O ' ' A' ' 428' ' ' ARG . 1.5 p -61.07 -36.73 74.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.231 176.593 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -64.54 -49.03 72.85 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.843 0.354 . . . . 0.0 110.716 179.166 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 434' ' ' ARG . . . . . 0.557 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 29.5 ptt180 -65.23 -23.5 67.09 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.711 -177.021 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 435' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 431' ' ' GLU . 88.4 mt -79.85 -55.24 9.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.882 177.173 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . 0.495 ' O ' ' HG2' ' A' ' 440' ' ' LYS . 4.5 pp -61.06 -31.61 71.27 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 121.157 -0.217 . . . . 0.0 110.774 -178.254 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . 0.441 ' N ' HD12 ' A' ' 436' ' ' LEU . 70.1 m -69.61 -58.72 3.59 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.512 177.399 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.58 -33.82 73.27 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 120.757 0.313 . . . . 0.0 111.119 -177.283 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 439' ' ' LEU . . . . . 0.487 ' O ' HD23 ' A' ' 443' ' ' LEU . 24.8 tp -63.79 -60.74 2.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.792 -177.786 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 440' ' ' LYS . . . . . 0.495 ' HG2' ' O ' ' A' ' 436' ' ' LEU . 58.1 pttt -63.97 -33.64 76.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.917 0.389 . . . . 0.0 111.241 -176.648 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -68.46 -55.68 10.99 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.337 -179.369 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -67.63 -28.06 67.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.719 0.295 . . . . 0.0 111.373 -178.987 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . 0.487 HD23 ' O ' ' A' ' 439' ' ' LEU . 4.3 mm? . . . . . 0 C--N 1.324 -0.532 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.464 -179.577 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . 0.626 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 . . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -63.45 -14.1 47.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.48 174.538 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.68 -59.98 8.88 Favored Glycine 0 N--CA 1.441 -1.009 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 177.966 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.598 ' HB ' HD23 ' A' ' 439' ' ' LEU . 0.0 OUTLIER -64.92 -32.56 58.74 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.677 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.302 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . 0.626 ' HG2' ' O ' ' A' ' 395' ' ' GLN . 32.7 mmtp -58.44 -52.65 64.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.925 0.393 . . . . 0.0 110.914 179.245 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . 0.683 ' HG3' HH21 ' A' ' 403' ' ' ARG . 44.0 tt0 -70.85 -44.88 65.53 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.764 0.316 . . . . 0.0 110.412 -179.207 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -62.98 -40.97 99.34 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 -178.781 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 402' ' ' ILE . . . . . 0.734 HG13 HD22 ' A' ' 436' ' ' LEU . 12.0 tt -66.88 -33.41 63.22 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.287 0 C-N-CA 121.244 -0.182 . . . . 0.0 110.655 -178.035 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.683 HH21 ' HG3' ' A' ' 400' ' ' GLU . 77.5 mtm180 -58.06 -48.54 79.8 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 175.341 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . 0.441 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 83.7 mtp180 -75.93 -37.86 58.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.627 -177.975 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 405' ' ' GLN . . . . . 0.418 ' NE2' ' HB3' ' A' ' 436' ' ' LEU . 26.1 mt-30 -71.13 -43.25 67.99 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.544 -178.678 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -68.22 -27.71 66.61 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 174.933 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.6 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.5 t80 -62.31 -54.06 46.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.9 176.949 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . 0.657 HD11 HG11 ' A' ' 432' ' ' VAL . 3.3 pp -74.48 -24.22 58.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 178.821 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 409' ' ' LEU . . . . . 0.447 ' N ' HD12 ' A' ' 408' ' ' LEU . 8.5 tt -65.49 -43.76 89.2 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 174.391 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -58.81 -43.72 90.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.237 172.54 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . 0.464 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 34.1 t -59.74 -53.54 56.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.082 179.375 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.816 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 4.4 pp -67.73 -24.43 65.37 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 120.439 -0.504 . . . . 0.0 111.3 -179.157 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . 0.417 ' N ' HD12 ' A' ' 412' ' ' LEU . 1.8 m-70 -68.75 -44.85 72.9 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.529 0.204 . . . . 0.0 111.431 173.892 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 414' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 411' ' ' SER . 16.5 ptp180 -72.73 -10.19 59.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.227 0.537 . . . . 0.0 110.421 178.069 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.77 13.5 34.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.814 174.553 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 412' ' ' LEU . 54.0 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.251 170.348 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . 0.444 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 10.1 t70 . . . . . 0 C--O 1.232 0.133 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 78.6 mt -113.73 -35.54 5.14 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-O 121.356 0.598 . . . . 0.0 110.472 179.179 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 4.4 m -59.37 -40.05 85.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.876 -175.885 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . 0.816 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 0.3 OUTLIER -56.92 -33.68 67.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.96 -179.785 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild core ' A' A ' 426' ' ' GLU . . . . . 0.458 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 37.1 tt0 -74.66 -44.87 48.22 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -177.018 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -64.8 -30.29 71.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.484 0.659 . . . . 0.0 110.02 176.245 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -76.21 -40.86 51.16 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.873 -178.423 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.81 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.4 pp -64.95 -32.35 74.02 Favored 'General case' 0 CA--C 1.513 -0.451 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.835 178.776 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 430' ' ' TRP . . . . . 0.53 ' N ' HD12 ' A' ' 429' ' ' LEU . 1.5 t90 -78.77 -27.77 44.67 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 120.376 -0.529 . . . . 0.0 110.406 179.624 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.454 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 44.1 tt0 -62.58 -57.0 12.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.378 179.272 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.657 HG11 HD11 ' A' ' 408' ' ' LEU . 33.4 m -68.39 -32.14 54.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.039 179.883 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -65.89 -49.94 66.27 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.241 -179.778 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 434' ' ' ARG . . . . . 0.454 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 14.8 ptm180 -63.14 -33.86 76.37 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.793 -176.655 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 435' ' ' ILE . . . . . . . . . . . . . 66.2 mt -66.8 -55.29 18.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.919 179.307 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . 0.734 HD22 HG13 ' A' ' 402' ' ' ILE . 4.5 pp -63.61 -32.62 74.15 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.415 -178.502 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . 0.812 ' HA ' ' HE3' ' A' ' 440' ' ' LYS . 90.0 m -66.91 -55.71 13.46 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.712 178.07 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.72 -41.99 98.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.336 -175.795 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 439' ' ' LEU . . . . . 0.598 HD23 ' HB ' ' A' ' 398' ' ' ILE . 45.7 tp -59.9 -59.4 5.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.323 -177.606 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 440' ' ' LYS . . . . . 0.812 ' HE3' ' HA ' ' A' ' 437' ' ' THR . 18.9 pttp -61.93 -32.15 72.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.687 0.28 . . . . 0.0 111.508 -174.488 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 -75.32 -47.93 25.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.983 -178.137 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -74.57 -24.16 58.87 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.516 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . 0.572 HD22 HE21 ' A' ' 395' ' ' GLN . 8.5 tt . . . . . 0 C--N 1.326 -0.439 0 CA-C-O 120.715 0.293 . . . . 0.0 111.133 -176.954 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . 0.593 ' HA ' HD21 ' A' ' 443' ' ' LEU . 24.9 tp60 . . . . . 0 C--O 1.24 0.558 0 CA-C-O 121.343 0.592 . . . . 0.0 109.643 . . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . 0.508 ' HA ' ' HB2' ' A' ' 399' ' ' LYS . . . -66.75 -9.8 40.49 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.887 176.373 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.08 -64.73 3.44 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 178.679 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.554 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -66.49 -26.09 36.76 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.312 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . 0.508 ' HB2' ' HA ' ' A' ' 396' ' ' ALA . 62.3 mmtt -62.4 -52.15 64.71 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.991 179.152 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -68.64 -44.82 73.36 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.764 -0.774 . . . . 0.0 109.647 176.22 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -63.75 -34.34 77.66 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.912 -176.699 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 402' ' ' ILE . . . . . 0.489 HG22 ' O ' ' A' ' 399' ' ' LYS . 11.2 tp -69.07 -39.68 79.84 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.307 0 CA-C-N 118.276 0.489 . . . . 0.0 110.192 179.279 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.588 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 83.3 mtp180 -59.98 -41.09 91.27 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 120.982 0.42 . . . . 0.0 109.928 176.255 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . 0.416 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 54.7 mtp180 -78.88 -38.93 36.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.575 -176.726 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 405' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -73.89 -40.71 63.0 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 122.464 -0.148 . . . . 0.0 110.979 -179.677 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -66.83 -29.2 69.07 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.336 -0.546 . . . . 0.0 109.678 174.449 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.588 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.8 t80 -62.96 -55.47 25.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.527 176.504 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . 0.52 HD12 ' N ' ' A' ' 409' ' ' LEU . 3.1 pp -70.4 -31.64 68.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.258 179.272 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 409' ' ' LEU . . . . . 0.52 ' N ' HD12 ' A' ' 408' ' ' LEU . 17.4 tp -58.88 -49.93 75.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.199 0.523 . . . . 0.0 109.631 175.291 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -61.87 -39.81 93.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.021 177.331 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 52.5 m -64.7 -55.2 21.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.545 -179.471 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.798 HD11 ' HB3' ' A' ' 429' ' ' LEU . 4.4 pp -65.87 -22.9 66.56 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.677 0.275 . . . . 0.0 111.089 -178.326 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . 0.418 ' N ' HD12 ' A' ' 412' ' ' LEU . 22.7 m170 -67.44 -34.96 78.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.049 0.452 . . . . 0.0 110.123 172.384 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 53.4 mtm180 -71.45 -26.74 62.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.42 176.373 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -80.05 4.81 15.92 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.891 0.377 . . . . 0.0 110.714 175.168 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 412' ' ' LEU . 75.7 mt . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.527 176.847 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . 0.6 ' CG ' ' HD3' ' A' ' 425' ' ' LYS . 9.9 t0 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 . . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 80.0 mt -87.66 -17.57 31.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.742 -176.716 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 47.4 m -74.35 -38.94 63.08 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.72 -176.183 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . 0.6 ' HD3' ' CG ' ' A' ' 422' ' ' ASP . 11.9 mptt -60.31 -33.33 72.22 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 120.722 0.296 . . . . 0.0 110.962 177.907 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 426' ' ' GLU . . . . . 0.661 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 40.4 mt-10 -71.64 -48.42 47.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.712 -177.052 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -66.19 -28.98 69.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.151 0.501 . . . . 0.0 110.405 175.915 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -75.12 -40.75 59.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.857 -177.41 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.798 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.3 pp -63.07 -37.96 89.28 Favored 'General case' 0 CA--C 1.513 -0.479 0 C-N-CA 120.643 -0.423 . . . . 0.0 109.888 178.993 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 4.3 t90 -73.71 -26.84 60.89 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.52 179.724 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.601 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 38.9 tt0 -65.29 -52.53 53.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.047 177.798 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 18.6 m -69.85 -33.7 57.07 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.422 179.127 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -62.36 -45.64 92.28 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 120.845 0.355 . . . . 0.0 110.258 179.348 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 434' ' ' ARG . . . . . 0.601 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 37.6 ptt180 -68.14 -28.09 67.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.066 -179.02 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 435' ' ' ILE . . . . . 0.514 HG13 ' O ' ' A' ' 431' ' ' GLU . 82.8 mt -72.91 -58.8 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 121.112 -0.235 . . . . 0.0 110.871 177.33 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . 0.44 HD12 ' N ' ' A' ' 437' ' ' THR . 4.1 pp -58.15 -35.43 71.53 Favored 'General case' 0 C--N 1.333 -0.135 0 O-C-N 123.073 0.233 . . . . 0.0 110.818 -177.604 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . 0.44 ' N ' HD12 ' A' ' 436' ' ' LEU . 93.2 m -67.43 -58.67 4.33 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.884 176.997 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.22 -40.93 95.84 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.006 -175.03 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 53.0 tp -59.64 -58.61 7.82 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.312 -177.4 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 440' ' ' LYS . . . . . 0.554 ' HB3' HG13 ' A' ' 398' ' ' ILE . 11.5 pttp -61.14 -28.53 69.18 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 121.029 0.442 . . . . 0.0 110.83 -175.522 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 441' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 437' ' ' THR . 40.3 mmt180 -68.0 -58.38 4.61 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.888 178.284 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 6.6 ptmm? -78.22 8.94 4.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 111.067 -179.724 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . 0.593 HD21 ' HA ' ' A' ' 395' ' ' GLN . 50.0 tp . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.059 176.262 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . 0.617 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 22.5 mm-40 . . . . . 0 CA--C 1.518 -0.269 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 . . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -66.67 -22.91 66.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.225 175.887 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -59.88 -52.94 49.9 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.056 -179.84 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.605 ' HB ' HD23 ' A' ' 439' ' ' LEU . 0.0 OUTLIER -70.19 -37.45 71.67 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.63 0 C-N-CA 120.719 -0.393 . . . . 0.0 109.97 178.631 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . 0.617 ' HG2' ' O ' ' A' ' 395' ' ' GLN . 13.8 mmmm -59.99 -45.8 91.53 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.692 -175.696 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -68.69 -45.55 71.35 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.116 0.484 . . . . 0.0 110.875 179.297 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -70.37 -35.27 73.43 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.984 -177.513 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 402' ' ' ILE . . . . . 0.768 HG13 HD22 ' A' ' 436' ' ' LEU . 15.2 tt -66.92 -30.86 51.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -179.712 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.608 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 72.8 mtp180 -59.09 -50.35 74.41 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 172.255 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . 0.485 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 41.2 mtm180 -64.31 -49.9 69.94 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.688 178.788 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 405' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -64.0 -46.67 83.51 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.205 -174.401 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -73.69 -20.29 60.58 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.068 -0.653 . . . . 0.0 110.865 179.886 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.608 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.8 t80 -71.31 -49.75 39.53 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.599 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . 0.488 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.7 pp -73.13 -28.36 62.2 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.639 177.513 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 409' ' ' LEU . . . . . 0.462 ' N ' HD12 ' A' ' 408' ' ' LEU . 9.4 tt -60.16 -45.67 92.31 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 173.494 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 410' ' ' ASN . . . . . 0.405 ' HB3' ' O ' ' A' ' 407' ' ' PHE . 2.9 t-20 -54.59 -46.02 73.69 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.643 175.488 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . 0.488 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 6.8 t -63.35 -57.54 10.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.034 -179.252 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.572 HD11 ' HB3' ' A' ' 429' ' ' LEU . 4.4 pp -67.47 -20.86 65.53 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 120.761 0.315 . . . . 0.0 111.224 -178.261 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -64.61 -46.86 80.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.83 0.348 . . . . 0.0 110.663 176.238 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 414' ' ' ARG . . . . . 0.488 ' HG2' ' O ' ' A' ' 411' ' ' SER . 6.7 ptm180 -78.62 -13.17 59.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.865 0.364 . . . . 0.0 110.612 -177.405 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.67 -11.74 60.53 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.68 172.806 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.559 HD21 ' HB2' ' A' ' 425' ' ' LYS . 81.3 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.802 176.401 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . 0.676 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 12.5 t70 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 . . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -104.73 -11.95 16.59 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.141 0.496 . . . . 0.0 110.58 -179.669 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 424' ' ' SER . . . . . 0.463 ' O ' ' HG2' ' A' ' 428' ' ' ARG . 64.7 m -72.99 -42.27 63.47 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.899 -176.769 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . 0.676 ' HG2' ' OD1' ' A' ' 422' ' ' ASP . 48.0 mmtt -57.97 -37.54 74.4 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.399 0.618 . . . . 0.0 109.758 178.748 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 426' ' ' GLU . . . . . 0.564 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 9.0 tp10 -62.79 -50.67 70.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.581 -1.191 . . . . 0.0 109.973 -177.387 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -73.31 -18.03 61.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.069 178.872 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 428' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' A' ' 424' ' ' SER . 33.3 mmt180 -79.52 -43.37 23.23 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.157 178.754 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.572 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.5 pp -63.99 -35.94 82.33 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 177.748 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -76.27 -26.98 56.47 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.232 179.124 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.511 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 42.4 tt0 -63.29 -57.52 10.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.822 178.169 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.429 HG11 HD11 ' A' ' 408' ' ' LEU . 24.8 m -68.54 -31.53 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.238 -179.933 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -63.26 -44.41 95.22 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.967 0.413 . . . . 0.0 110.286 -179.842 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 434' ' ' ARG . . . . . 0.511 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 12.3 ptt180 -72.46 -28.51 62.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.925 -178.352 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 435' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 431' ' ' GLU . 73.1 mt -68.17 -54.77 19.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 116.717 -0.219 . . . . 0.0 111.009 177.936 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . 0.768 HD22 HG13 ' A' ' 402' ' ' ILE . 4.3 pp -63.05 -35.04 78.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.802 179.378 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . 0.594 ' HA ' ' HE3' ' A' ' 440' ' ' LYS . 97.3 m -71.55 -45.45 62.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.861 -0.154 . . . . 0.0 111.383 -179.945 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . 0.558 ' O ' ' HB2' ' A' ' 442' ' ' LYS . . . -55.42 -48.71 73.99 Favored 'General case' 0 CA--C 1.516 -0.341 0 O-C-N 123.359 0.412 . . . . 0.0 110.886 -178.64 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 439' ' ' LEU . . . . . 0.605 HD23 ' HB ' ' A' ' 398' ' ' ILE . 34.5 tp -64.1 -57.87 8.33 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.063 -177.368 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 440' ' ' LYS . . . . . 0.594 ' HE3' ' HA ' ' A' ' 437' ' ' THR . 22.9 pttp -64.35 -32.13 73.61 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -172.321 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 441' ' ' ARG . . . . . 0.421 ' HD3' ' HA ' ' A' ' 441' ' ' ARG . 37.3 mmt180 -82.96 -44.78 14.91 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.365 -178.807 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 442' ' ' LYS . . . . . 0.558 ' HB2' ' O ' ' A' ' 438' ' ' ALA . 14.1 mptt -69.58 -18.41 63.63 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.072 178.093 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . 0.483 HD23 HE21 ' A' ' 395' ' ' GLN . 17.1 tp . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.375 -178.849 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 . . . . . 0 C--O 1.232 0.17 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' A' A ' 396' ' ' ALA . . . . . 0.46 ' HA ' ' HB2' ' A' ' 399' ' ' LYS . . . -66.09 -10.96 45.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.153 174.676 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.44 -55.03 31.35 Favored Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.596 176.786 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 398' ' ' ILE . . . . . 0.503 ' CD1' ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -70.45 -32.93 51.74 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.609 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 176.861 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . 0.46 ' HB2' ' HA ' ' A' ' 396' ' ' ALA . 71.4 mmtt -55.38 -52.43 63.55 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -178.732 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -72.91 -38.49 66.88 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.73 0.3 . . . . 0.0 111.176 179.444 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.46 -47.17 85.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.367 178.313 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 402' ' ' ILE . . . . . 0.432 HG13 ' HB2' ' A' ' 436' ' ' LEU . 13.2 tt -65.83 -30.47 50.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.502 -177.209 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.647 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 89.5 mtt180 -57.55 -49.86 74.97 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.176 173.091 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 404' ' ' ARG . . . . . 0.509 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 63.5 mtm180 -72.54 -43.0 64.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.114 -179.782 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 405' ' ' GLN . . . . . 0.471 ' O ' ' HB2' ' A' ' 409' ' ' LEU . 75.1 mt-30 -65.15 -42.7 93.53 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.975 -177.344 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -78.65 -20.01 51.28 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.07 -0.652 . . . . 0.0 110.729 177.884 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 407' ' ' PHE . . . . . 0.647 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 4.1 t80 -69.18 -51.56 36.83 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 175.249 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 408' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 404' ' ' ARG . 3.4 pp -70.63 -29.74 66.19 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.31 176.805 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 409' ' ' LEU . . . . . 0.59 ' O ' ' HB2' ' A' ' 413' ' ' HIS . 7.0 tt -61.04 -49.17 78.48 Favored 'General case' 0 C--O 1.224 -0.257 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 175.018 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.22 -41.54 84.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.735 174.804 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 38.2 m -61.38 -58.18 9.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.958 179.809 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 412' ' ' LEU . . . . . 0.752 HD11 ' HB3' ' A' ' 429' ' ' LEU . 4.6 pp -65.61 -26.1 67.68 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 121.0 0.429 . . . . 0.0 110.987 -179.212 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . 0.59 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 10.4 t-160 -66.48 -34.63 78.35 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 177.423 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -76.67 -26.4 54.76 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.02 177.888 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 415' ' ' ASP . . . . . 0.419 ' OD2' ' HA ' ' A' ' 412' ' ' LEU . 16.2 m-20 -64.29 -18.06 64.23 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.669 175.78 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.662 HD21 ' HB2' ' A' ' 425' ' ' LYS . 49.2 mt . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 178.057 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . 0.573 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 10.0 t70 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 . . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 83.3 mt -109.4 -13.47 14.59 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.702 -178.941 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 424' ' ' SER . . . . . 0.608 ' O ' ' HG2' ' A' ' 428' ' ' ARG . 78.0 p -71.63 -39.76 70.18 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.326 179.643 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 425' ' ' LYS . . . . . 0.662 ' HB2' HD21 ' A' ' 416' ' ' LEU . 41.6 mmtm -71.12 -30.22 66.23 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 177.488 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 426' ' ' GLU . . . . . 0.487 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 4.9 mm-40 -62.88 -51.31 67.49 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.321 179.112 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -67.96 -23.76 65.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.263 178.887 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 428' ' ' ARG . . . . . 0.609 ' HB3' HD22 ' A' ' 412' ' ' LEU . 24.1 mmm180 -75.75 -48.05 23.39 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.111 -179.36 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 429' ' ' LEU . . . . . 0.752 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.2 pp -62.79 -31.68 72.7 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.511 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -78.18 -29.36 48.48 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.466 179.748 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.623 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 7.7 tp10 -69.1 -57.06 5.91 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 121.153 0.501 . . . . 0.0 109.825 -179.528 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.512 HG23 HD12 ' A' ' 409' ' ' LEU . 30.0 m -67.62 -25.89 34.04 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.959 179.796 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 433' ' ' GLN . . . . . 0.632 ' HB2' ' O ' ' A' ' 429' ' ' LEU . 6.6 tp-100 -59.49 -50.59 73.33 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.756 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 434' ' ' ARG . . . . . 0.623 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 16.5 ptm180 -68.47 -32.67 72.83 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.375 -177.555 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 435' ' ' ILE . . . . . . . . . . . . . 78.6 mt -69.16 -57.17 9.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-N 116.603 -0.272 . . . . 0.0 111.119 -179.722 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 436' ' ' LEU . . . . . 0.496 ' O ' ' HG2' ' A' ' 440' ' ' LYS . 4.4 pp -61.44 -36.39 80.23 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-O 120.533 0.206 . . . . 0.0 111.006 -178.514 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 437' ' ' THR . . . . . 0.715 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 84.9 m -70.1 -49.21 53.11 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 121.111 -0.236 . . . . 0.0 110.991 179.338 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . 0.461 ' O ' ' HD3' ' A' ' 442' ' ' LYS . . . -62.95 -43.77 97.88 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.786 0.326 . . . . 0.0 110.518 -177.408 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 439' ' ' LEU . . . . . 0.581 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 23.1 tp -60.17 -53.58 55.99 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.632 -175.531 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 440' ' ' LYS . . . . . 0.715 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 54.5 pttt -63.68 -35.44 80.57 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.428 -178.196 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -74.25 -41.5 61.19 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.524 -176.521 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 442' ' ' LYS . . . . . 0.461 ' HD3' ' O ' ' A' ' 438' ' ' ALA . 4.9 mptp? -74.74 -13.54 60.61 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.928 178.609 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 46.0 mt . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.467 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.613 0 N-CA-C 111.743 -0.543 . . . . 0.0 111.743 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 48.7 m -87.03 102.86 14.81 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.895 0.378 . . . . 0.0 110.205 177.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -85.57 81.5 8.65 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.52 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 3.6 p -130.66 102.18 6.01 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.485 -177.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . 0.583 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 0.1 OUTLIER -72.18 -31.82 66.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.179 0.514 . . . . 0.0 109.753 176.596 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -69.16 -18.21 63.91 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.79 174.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.62 -52.88 42.46 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.819 176.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.422 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -67.63 -29.26 44.7 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 177.569 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.636 ' O ' ' HG3' ' A' ' 403' ' ' ARG . 32.4 mmtp -60.21 -50.81 72.21 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.842 178.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -66.84 -44.63 80.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.095 0.474 . . . . 0.0 110.41 177.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -58.13 -50.33 73.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.54 178.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 402' ' ' ILE . . . . . 0.498 ' HA ' ' HB2' ' A' ' 405' ' ' GLN . 12.1 tt -64.97 -26.09 39.23 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.479 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.623 -174.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.636 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 82.5 mtp180 -63.13 -47.96 80.53 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 173.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . 0.436 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 44.4 mtm180 -69.52 -44.87 70.15 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.099 0.476 . . . . 0.0 110.318 178.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 405' ' ' GLN . . . . . 0.498 ' HB2' ' HA ' ' A' ' 402' ' ' ILE . 74.4 mt-30 -60.87 -55.28 34.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.429 -0.805 . . . . 0.0 112.024 -179.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -61.95 -29.85 70.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.811 0.339 . . . . 0.0 110.849 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.53 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.9 t80 -60.03 -56.72 18.17 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.169 0.509 . . . . 0.0 109.733 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.624 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.3 pp -74.01 -29.78 62.12 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.185 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 409' ' ' LEU . . . . . 0.477 ' N ' HD12 ' A' ' 408' ' ' LEU . 5.6 tt -62.07 -50.22 72.85 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 -179.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -61.56 -40.98 96.67 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.999 0.428 . . . . 0.0 110.153 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 28.4 t -58.99 -62.31 1.98 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.943 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.645 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 4.2 pp -65.87 -22.69 66.54 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 120.713 0.292 . . . . 0.0 111.067 -177.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . 0.408 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 18.2 t-160 -65.37 -34.11 77.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.108 0.48 . . . . 0.0 110.214 175.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 41.3 mtp180 -80.14 -22.05 42.48 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.977 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -65.18 -13.24 57.74 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 120.888 0.375 . . . . 0.0 111.348 174.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.405 HD12 ' HD2' ' A' ' 413' ' ' HIS . 72.8 mt -85.58 -8.1 58.47 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.955 177.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -109.81 139.12 45.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.012 0.434 . . . . 0.0 111.351 -173.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 116.02 29.78 2.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.578 178.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 74.09 27.17 66.91 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.851 -0.69 . . . . 0.0 111.686 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 47.9 mm -93.22 128.59 44.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.14 0.495 . . . . 0.0 110.938 -176.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -97.34 80.13 2.86 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.08 175.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . 0.593 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 10.1 t70 -126.66 123.34 37.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.948 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 83.7 mt -100.22 -13.38 18.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.202 0.525 . . . . 0.0 110.64 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 9.4 t -73.91 -47.81 35.24 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.0 -172.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . 0.645 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 12.0 mptt -62.86 -34.52 77.54 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.31 -177.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 426' ' ' GLU . . . . . 0.563 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 28.9 tt0 -74.61 -43.68 54.32 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.883 0.373 . . . . 0.0 110.398 -174.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -62.02 -31.61 72.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.479 0.657 . . . . 0.0 110.113 173.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 428' ' ' ARG . . . . . 0.462 ' HD2' HD22 ' A' ' 412' ' ' LEU . 26.3 ttm180 -75.02 -44.2 49.37 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.755 -177.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 3.5 pp -62.49 -30.95 71.64 Favored 'General case' 0 CA--C 1.513 -0.447 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.05 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -73.92 -32.68 63.64 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.308 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.469 ' O ' HG13 ' A' ' 435' ' ' ILE . 9.7 tp10 -63.59 -53.16 55.99 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 174.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 428' ' ' ARG . 61.5 t -57.68 -45.27 86.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.603 177.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . 0.405 ' HB2' HE21 ' A' ' 433' ' ' GLN . 6.2 tp-100 -56.97 -47.71 80.1 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.559 -178.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 434' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -75.73 -26.3 57.35 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.959 -173.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 435' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 431' ' ' GLU . 82.4 mt -71.02 -55.71 13.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 C-N-CA 121.121 -0.232 . . . . 0.0 110.991 177.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . 0.443 HD12 ' N ' ' A' ' 437' ' ' THR . 4.3 pp -59.18 -39.41 82.46 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 120.793 0.33 . . . . 0.0 110.582 -178.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 0.443 ' N ' HD12 ' A' ' 436' ' ' LEU . 73.0 m -66.19 -56.99 8.6 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.745 179.009 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.97 -40.25 92.69 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 111.739 0.274 . . . . 0.0 111.739 -175.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.479 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 38.2 tp -61.07 -55.7 29.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.277 -177.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 440' ' ' LYS . . . . . 0.422 ' HB3' HG13 ' A' ' 398' ' ' ILE . 18.5 pttp -65.72 -28.5 69.1 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.968 0.413 . . . . 0.0 111.095 -175.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 441' ' ' ARG . . . . . 0.778 ' HD2' ' HG3' ' A' ' 445' ' ' GLU . 18.9 mmm180 -74.39 -46.57 39.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.455 179.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -65.75 -28.68 69.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.578 0.228 . . . . 0.0 111.508 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 64.0 mt -85.66 -35.68 20.76 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.653 0.612 . . . . 0.0 112.653 -175.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . 0.56 ' HD2' ' OE1' ' A' ' 445' ' ' GLU . 9.8 ttm180 -112.06 -31.62 6.83 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.429 -0.509 . . . . 0.0 112.251 -173.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . 0.778 ' HG3' ' HD2' ' A' ' 441' ' ' ARG . 7.3 mm-40 -89.73 10.39 23.59 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.902 0.382 . . . . 0.0 110.773 -175.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.368 -0.825 . . . . 0.0 110.777 -179.463 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.463 0 N-CA-C 111.735 -0.546 . . . . 0.0 111.735 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 47.7 m -143.07 98.56 3.29 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . 0.539 ' HA ' HD12 ' A' ' 443' ' ' LEU . 9.2 pt-20 -113.81 142.9 45.5 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.384 0.611 . . . . 0.0 112.393 -172.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.554 ' H ' HD12 ' A' ' 443' ' ' LEU . 19.9 p -126.01 59.23 1.32 Allowed 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.043 166.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . 0.567 ' NE2' ' HB2' ' A' ' 444' ' ' ARG . 7.9 tp-100 -66.95 -31.3 71.79 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.299 -179.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -70.79 -29.41 65.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.624 173.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -58.9 -56.05 27.47 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 114.932 -1.031 . . . . 0.0 112.008 178.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.614 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -70.55 -32.9 51.29 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.66 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -179.822 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.857 ' HA ' ' HE3' ' A' ' 399' ' ' LYS . 0.3 OUTLIER -53.54 -59.17 4.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.885 0.374 . . . . 0.0 111.258 -178.122 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -64.73 -49.36 71.12 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-O 121.158 0.504 . . . . 0.0 110.672 -178.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' GLU . . . . . 0.578 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 11.8 mm-40 -60.11 -42.71 95.31 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.898 -178.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 402' ' ' ILE . . . . . 0.614 HD12 HD11 ' A' ' 398' ' ' ILE . 12.1 tt -65.16 -33.23 62.29 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.329 0 CA-C-N 117.866 0.303 . . . . 0.0 110.932 -176.29 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.534 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 52.0 mtp180 -59.24 -44.0 92.36 Favored 'General case' 0 CA--C 1.519 -0.216 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 175.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . 0.431 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 27.9 mtm180 -75.23 -40.28 59.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.178 179.177 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 405' ' ' GLN . . . . . 0.578 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 46.3 mt-30 -62.61 -53.28 56.93 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-N 116.714 -0.221 . . . . 0.0 111.522 178.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -60.2 -32.52 71.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.96 0.41 . . . . 0.0 110.25 177.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.534 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.5 t80 -60.61 -53.86 52.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.123 178.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.478 HD12 ' N ' ' A' ' 409' ' ' LEU . 2.8 pp -75.4 -28.22 59.36 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 121.054 -0.258 . . . . 0.0 111.53 -179.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 409' ' ' LEU . . . . . 0.478 ' N ' HD12 ' A' ' 408' ' ' LEU . 6.3 tt -61.49 -46.49 89.79 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 175.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -59.53 -39.13 82.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.187 177.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 16.8 t -65.87 -58.43 5.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.203 -179.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.634 ' CD1' ' HB3' ' A' ' 429' ' ' LEU . 4.1 pp -66.17 -21.96 66.34 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 121.829 -0.544 . . . . 0.0 110.743 -179.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 15.1 t-160 -66.55 -39.37 88.52 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.895 174.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -80.07 -10.09 59.74 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.76 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -71.6 -18.73 62.21 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.931 0.396 . . . . 0.0 110.394 171.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.606 HD21 ' HB2' ' A' ' 425' ' ' LYS . 84.1 mt -86.01 10.85 12.97 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.936 -178.044 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -142.15 142.08 32.7 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.826 0.346 . . . . 0.0 111.286 -175.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 114.06 33.54 1.81 Allowed Glycine 0 N--CA 1.446 -0.633 0 C-N-CA 121.123 -0.561 . . . . 0.0 112.346 -179.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 79.15 30.81 44.89 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.938 -0.648 . . . . 0.0 112.085 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 50.7 mm -108.02 134.65 49.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.633 0.254 . . . . 0.0 110.919 -175.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . 0.427 ' HB3' ' HE2' ' A' ' 421' ' ' LYS . 50.1 mtpt -106.24 84.87 2.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.974 0.416 . . . . 0.0 110.18 175.136 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . 0.535 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 12.3 t70 -131.23 127.96 38.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.015 178.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.6 mp -108.64 -8.23 15.49 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.409 0.623 . . . . 0.0 109.532 177.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 35.1 t -67.57 -49.62 62.35 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.64 -176.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . 0.606 ' HB2' HD21 ' A' ' 416' ' ' LEU . 33.4 mmtm -65.1 -30.29 71.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.112 -177.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 426' ' ' GLU . . . . . 0.553 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 10.7 tp10 -64.27 -53.18 53.01 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.988 -176.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -70.01 -27.38 64.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.213 179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 -76.95 -43.22 36.11 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.901 -176.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.634 ' HB3' ' CD1' ' A' ' 412' ' ' LEU . 4.0 pp -60.99 -38.7 86.93 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 177.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -71.43 -28.47 64.0 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 120.531 -0.468 . . . . 0.0 109.806 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.629 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 41.4 tt0 -73.45 -50.45 21.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.66 177.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.437 HG12 ' HA ' ' A' ' 429' ' ' LEU . 10.2 p -65.06 -32.28 57.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 178.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -65.66 -48.61 71.54 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.046 177.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 434' ' ' ARG . . . . . 0.629 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 24.5 ptt180 -63.22 -31.83 73.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.768 -176.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 435' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 431' ' ' GLU . 82.1 mt -69.93 -55.29 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.731 -0.213 . . . . 0.0 110.82 179.247 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . 0.488 ' O ' ' HG2' ' A' ' 440' ' ' LYS . 4.6 pp -63.17 -31.42 72.56 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 121.13 -0.228 . . . . 0.0 110.867 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 0.64 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 85.5 m -70.82 -53.36 15.61 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.18 177.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.5 -32.27 71.29 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.025 0.44 . . . . 0.0 110.596 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.5 ' O ' HD23 ' A' ' 443' ' ' LEU . 30.2 tp -68.77 -56.58 7.6 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.54 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 440' ' ' LYS . . . . . 0.64 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 58.1 pttt -62.55 -44.25 96.8 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.676 -0.41 . . . . 0.0 111.669 -177.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 441' ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' ' 437' ' ' THR . 16.8 mmm180 -66.78 -36.46 82.47 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.518 -174.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -94.55 -2.49 51.48 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 121.078 -0.249 . . . . 0.0 111.574 -177.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.554 HD12 ' H ' ' A' ' 394' ' ' THR . 4.5 mm? -114.11 3.72 15.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.014 0.435 . . . . 0.0 110.155 175.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . 0.567 ' HB2' ' NE2' ' A' ' 395' ' ' GLN . 31.4 tpt180 -131.1 -55.23 1.04 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.029 178.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -77.81 -2.47 36.65 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.81 0.338 . . . . 0.0 110.849 -178.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.526 -0.75 . . . . 0.0 110.183 179.548 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.62 0 N-CA-C 112.137 -0.385 . . . . 0.0 112.137 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 49.4 m 68.9 12.01 8.51 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 122.978 0.511 . . . . 0.0 111.696 178.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -96.05 -25.22 15.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.019 0.438 . . . . 0.0 110.275 177.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 1.9 p -81.93 73.74 8.95 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.248 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -68.08 -30.87 70.16 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 175.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . 0.656 ' HA ' ' HB2' ' A' ' 399' ' ' LYS . . . -65.91 -12.62 56.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.261 174.181 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -59.85 -55.22 31.62 Favored Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 177.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.446 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -73.49 -32.79 37.73 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.65 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 176.757 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.656 ' HB2' ' HA ' ' A' ' 396' ' ' ALA . 1.5 mptm? -60.52 -48.68 80.69 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.993 -0.283 . . . . 0.0 111.678 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -69.63 -44.61 70.27 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-O 120.923 0.392 . . . . 0.0 110.36 178.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' GLU . . . . . 0.486 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 7.4 mm-40 -58.31 -55.27 37.14 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.026 177.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 402' ' ' ILE . . . . . 0.414 ' HA ' ' HB2' ' A' ' 405' ' ' GLN . 11.4 tt -59.44 -29.02 41.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 O-C-N 123.172 0.295 . . . . 0.0 110.98 -175.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.542 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 88.2 mtt180 -59.73 -51.47 69.63 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.426 -0.51 . . . . 0.0 109.986 173.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . 0.529 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 54.3 mtm180 -75.0 -38.88 61.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.811 -178.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 405' ' ' GLN . . . . . 0.486 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 92.3 mt-30 -63.15 -53.72 48.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.209 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -61.64 -30.17 70.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.889 0.376 . . . . 0.0 110.19 177.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.542 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.1 t80 -62.9 -55.26 27.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.042 179.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.575 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.8 pp -73.5 -30.29 63.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.975 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 409' ' ' LEU . . . . . 0.534 ' N ' HD12 ' A' ' 408' ' ' LEU . 8.2 tt -61.17 -48.27 82.33 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 175.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -59.19 -38.55 80.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.479 176.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . 0.606 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 41.0 m -63.52 -60.57 3.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.028 -179.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.618 ' CD1' ' HB3' ' A' ' 429' ' ' LEU . 3.6 pp -70.08 -14.64 62.76 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.315 -0.554 . . . . 0.0 111.38 -179.06 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . 0.557 ' HD2' HD12 ' A' ' 416' ' ' LEU . 17.2 t-160 -73.82 -40.39 63.37 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 174.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 414' ' ' ARG . . . . . 0.606 ' HG2' ' O ' ' A' ' 411' ' ' SER . 15.6 ptm180 -77.81 -13.1 60.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.151 0.501 . . . . 0.0 109.981 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.74 -20.71 65.97 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.568 170.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.557 HD12 ' HD2' ' A' ' 413' ' ' HIS . 38.5 mt -86.62 16.06 5.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.006 -176.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -100.6 104.82 16.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.786 0.327 . . . . 0.0 110.379 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 125.55 -131.8 7.74 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.026 -0.606 . . . . 0.0 112.496 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -86.36 76.38 2.13 Favored Glycine 0 N--CA 1.451 -0.319 0 N-CA-C 111.851 -0.5 . . . . 0.0 111.851 -178.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 78.2 mt -58.4 113.65 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.461 0.648 . . . . 0.0 112.731 -173.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -133.9 35.12 3.34 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 167.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . 0.85 ' HB3' ' HD2' ' A' ' 425' ' ' LYS . 3.4 m-20 -122.26 42.83 3.04 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 111.868 -2.424 . . . . 0.0 109.253 -170.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -59.16 -32.02 69.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.789 -175.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 11.5 p -64.48 -33.67 76.42 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.209 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . 0.85 ' HD2' ' HB3' ' A' ' 422' ' ' ASP . 91.1 mttt -69.99 -29.67 66.81 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.816 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 426' ' ' GLU . . . . . 0.503 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 46.1 mt-10 -67.56 -43.54 80.41 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.546 0.689 . . . . 0.0 109.609 176.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -65.57 -28.6 69.26 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.105 176.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 428' ' ' ARG . . . . . 0.512 ' O ' HG23 ' A' ' 432' ' ' VAL . 57.7 mtt180 -72.6 -52.19 16.5 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.707 -179.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.618 ' HB3' ' CD1' ' A' ' 412' ' ' LEU . 4.5 pp -59.33 -30.86 68.67 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.429 -179.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 430' ' ' TRP . . . . . 0.405 ' N ' HD12 ' A' ' 429' ' ' LEU . 2.2 t90 -71.61 -37.42 70.94 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.444 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.589 ' HA ' ' HG2' ' A' ' 434' ' ' ARG . 30.1 tt0 -70.23 -42.84 71.73 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 120.571 -0.451 . . . . 0.0 109.79 176.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 428' ' ' ARG . 60.2 t -56.71 -44.16 80.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.994 0.426 . . . . 0.0 109.998 176.166 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -64.34 -43.32 94.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.418 -178.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 434' ' ' ARG . . . . . 0.589 ' HG2' ' HA ' ' A' ' 431' ' ' GLU . 37.6 ptt180 -71.54 -28.34 63.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.647 -176.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 435' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 431' ' ' GLU . 83.2 mt -70.5 -56.05 12.31 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.129 0 CA-C-N 116.795 -0.184 . . . . 0.0 110.522 177.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . 0.496 ' O ' ' HG2' ' A' ' 440' ' ' LYS . 4.4 pp -58.62 -33.13 69.7 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.661 0.267 . . . . 0.0 110.74 -177.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 0.588 ' O ' ' HG2' ' A' ' 441' ' ' ARG . 84.4 m -68.09 -57.1 6.64 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.672 177.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -63.4 -35.06 79.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.532 -176.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.422 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 33.4 tp -64.09 -53.76 44.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.814 -176.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 440' ' ' LYS . . . . . 0.496 ' HG2' ' O ' ' A' ' 436' ' ' LEU . 52.6 pttt -64.54 -26.56 68.47 Favored 'General case' 0 CA--C 1.521 -0.171 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.695 -178.151 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 441' ' ' ARG . . . . . 0.588 ' HG2' ' O ' ' A' ' 437' ' ' THR . 38.7 mmt180 -68.0 -49.73 59.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.568 177.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -73.05 -11.99 60.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 122.164 -0.335 . . . . 0.0 111.67 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 84.9 mt -101.23 -15.83 17.18 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -179.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -122.69 -36.72 2.86 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 122.116 -0.365 . . . . 0.0 111.815 -177.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . 0.557 ' HG2' ' HA ' ' A' ' 441' ' ' ARG . 1.4 mm-40 -87.79 8.27 26.58 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.915 0.388 . . . . 0.0 110.798 -174.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.403 -0.808 . . . . 0.0 110.284 179.559 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.435 0 N-CA-C 111.525 -0.63 . . . . 0.0 111.525 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 15.6 t -118.17 85.75 2.4 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -107.24 146.44 31.44 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.204 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 10.8 m -121.89 112.06 17.86 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.646 -178.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . 0.764 ' HA ' HD21 ' A' ' 443' ' ' LEU . 9.6 mm100 -62.82 -35.84 81.24 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.088 0.471 . . . . 0.0 110.399 175.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . 0.428 ' HA ' ' HB3' ' A' ' 399' ' ' LYS . . . -66.73 -8.58 29.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.898 175.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.86 -63.17 5.01 Favored Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.679 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -74.63 -30.66 25.44 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.674 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 177.296 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.88 ' HA ' ' HE2' ' A' ' 399' ' ' LYS . 0.1 OUTLIER -58.26 -56.73 18.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.928 0.394 . . . . 0.0 111.427 -176.421 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -77.68 -33.47 53.28 Favored 'General case' 0 N--CA 1.446 -0.646 0 O-C-N 122.074 -0.391 . . . . 0.0 111.122 -177.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' GLU . . . . . 0.501 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 19.3 mm-40 -72.92 -30.37 63.85 Favored 'General case' 0 C--O 1.222 -0.372 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.499 178.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 402' ' ' ILE . . . . . 0.679 HD12 HD11 ' A' ' 398' ' ' ILE . 10.2 tt -69.68 -30.42 44.85 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.275 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 176.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.627 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 82.9 mtp180 -56.58 -46.93 80.51 Favored 'General case' 0 C--N 1.334 -0.107 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 171.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . 0.462 ' HD2' ' OE2' ' A' ' 401' ' ' GLU . 90.5 mtt180 -65.36 -54.49 28.04 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.293 176.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 405' ' ' GLN . . . . . 0.58 ' O ' ' HB2' ' A' ' 409' ' ' LEU . 47.6 mt-30 -62.6 -35.22 78.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.717 -0.674 . . . . 0.0 112.045 -174.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . 0.505 ' HG3' HG12 ' A' ' 402' ' ' ILE . 47.2 mt-10 -80.38 -25.3 39.21 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.817 175.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.627 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 9.4 t80 -62.67 -55.04 30.54 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 178.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.561 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.7 pp -72.25 -26.69 62.1 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.829 177.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 409' ' ' LEU . . . . . 0.58 ' HB2' ' O ' ' A' ' 405' ' ' GLN . 18.0 tp -59.39 -46.23 89.25 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.073 0.463 . . . . 0.0 109.806 176.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -62.89 -43.49 98.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.485 177.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 50.4 m -61.68 -55.5 29.75 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.799 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.796 HD11 ' HB3' ' A' ' 429' ' ' LEU . 4.4 pp -66.89 -19.75 65.79 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 120.814 0.34 . . . . 0.0 111.177 -177.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . 0.422 ' N ' HD12 ' A' ' 412' ' ' LEU . 10.2 m170 -69.67 -43.5 72.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.907 0.384 . . . . 0.0 110.172 172.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -71.66 -21.76 61.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.438 177.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.77 -41.54 97.83 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.128 0.49 . . . . 0.0 110.351 170.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 412' ' ' LEU . 86.9 mt -74.91 -29.12 60.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.433 -179.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -62.91 135.74 57.47 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.373 0.606 . . . . 0.0 110.909 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 109.38 7.98 27.56 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -172.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 75.56 35.73 45.86 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 121.119 -0.562 . . . . 0.0 111.724 -178.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 30.7 mm -95.01 117.68 39.39 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-O 120.997 0.427 . . . . 0.0 110.52 -176.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -87.91 77.53 8.48 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.137 0.494 . . . . 0.0 109.943 178.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -97.61 102.79 14.64 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 177.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -69.82 -34.59 73.9 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.576 -176.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 22.6 t -65.38 -45.25 84.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.098 -178.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . 0.41 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 0.6 OUTLIER -65.99 -34.32 77.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.033 178.475 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 426' ' ' GLU . . . . . 0.663 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 35.7 tt0 -73.28 -43.98 60.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.939 0.4 . . . . 0.0 110.517 -176.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -65.87 -26.03 67.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.085 0.469 . . . . 0.0 109.873 175.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -73.99 -43.35 58.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.418 -178.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.796 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.5 pp -63.74 -36.59 84.38 Favored 'General case' 0 CA--C 1.516 -0.332 0 C-N-CA 120.414 -0.515 . . . . 0.0 110.739 -179.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 430' ' ' TRP . . . . . 0.524 ' N ' HD12 ' A' ' 429' ' ' LEU . 1.7 t90 -79.25 -25.71 42.54 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 121.056 0.455 . . . . 0.0 110.195 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.644 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 43.3 tt0 -66.14 -53.19 40.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.35 177.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.482 HG11 HD11 ' A' ' 408' ' ' LEU . 32.3 m -70.78 -32.91 50.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 CA-C-O 120.829 0.347 . . . . 0.0 110.822 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -64.82 -43.46 93.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.525 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 434' ' ' ARG . . . . . 0.644 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 32.4 ptt180 -67.65 -34.49 77.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.796 0.331 . . . . 0.0 110.537 -178.206 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 435' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 431' ' ' GLU . 82.6 mt -68.17 -53.6 28.13 Favored 'Isoleucine or valine' 0 C--O 1.235 0.336 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.01 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . 0.47 ' O ' ' HG2' ' A' ' 440' ' ' LYS . 3.8 pp -61.03 -38.41 86.04 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.261 -178.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 61.9 m -68.21 -47.05 68.91 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.231 -177.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -57.4 -48.15 79.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.97 0.414 . . . . 0.0 110.776 -178.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 47.6 tp -66.2 -50.29 64.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.711 -177.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 440' ' ' LYS . . . . . 0.516 ' HB3' HG13 ' A' ' 398' ' ' ILE . 21.3 ptmt -61.24 -32.3 72.1 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.699 0.285 . . . . 0.0 111.573 -174.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 441' ' ' ARG . . . . . 0.464 ' NH1' ' HG3' ' A' ' 445' ' ' GLU . 3.1 mmp_? -68.96 -56.95 6.24 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.822 -178.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -68.05 -21.3 65.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.796 0.332 . . . . 0.0 111.534 -177.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.764 HD21 ' HA ' ' A' ' 395' ' ' GLN . 61.1 tp -85.36 -58.02 2.84 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.965 -176.001 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -74.19 -32.78 63.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.735 -172.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . 0.464 ' HG3' ' NH1' ' A' ' 441' ' ' ARG . 5.1 mm-40 -90.57 19.71 5.14 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.705 0.288 . . . . 0.0 111.21 -172.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.427 -0.797 . . . . 0.0 111.016 -179.958 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.666 0 N-CA-C 111.921 -0.472 . . . . 0.0 111.921 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 8.3 t -115.3 2.12 13.92 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.229 0.537 . . . . 0.0 110.206 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -87.48 11.48 14.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.77 -175.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 5.6 p -91.74 76.66 5.64 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -174.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 18.1 tp60 -67.06 -37.88 84.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.585 0.707 . . . . 0.0 109.401 174.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -68.1 -10.5 54.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.466 176.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.38 -59.86 8.29 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 176.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.436 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -63.07 -31.53 52.94 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.711 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 176.628 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 399' ' ' LYS . 0.1 OUTLIER -60.62 -53.12 61.26 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.689 -179.824 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -65.49 -49.07 70.4 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-O 121.323 0.582 . . . . 0.0 109.953 176.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -57.74 -49.44 76.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.156 -178.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 402' ' ' ILE . . . . . 0.436 HD12 HD11 ' A' ' 398' ' ' ILE . 11.9 tt -62.82 -30.72 50.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.209 0.052 . . . . 0.0 111.092 -175.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.566 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 57.5 mtp180 -58.31 -47.61 83.13 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 174.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . 0.517 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 14.2 mmt180 -74.42 -41.27 61.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.583 -179.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 405' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -64.15 -48.34 76.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.933 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.49 -28.5 68.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.813 0.34 . . . . 0.0 110.332 177.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.566 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 1.9 t80 -66.06 -52.26 50.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.572 178.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.667 HD11 HG11 ' A' ' 432' ' ' VAL . 2.5 pp -72.99 -32.5 65.2 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.857 179.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 409' ' ' LEU . . . . . 0.597 ' N ' HD12 ' A' ' 408' ' ' LEU . 6.9 tt -60.36 -49.0 79.33 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 175.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -54.19 -47.02 72.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.962 175.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 36.7 m -60.94 -58.42 8.51 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.259 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 4.3 pp -68.15 -20.44 64.89 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 120.884 0.373 . . . . 0.0 111.38 -179.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . 0.467 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 19.6 t-160 -66.9 -35.61 80.39 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 174.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -77.94 -23.62 48.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.821 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 415' ' ' ASP . . . . . 0.529 ' OD2' ' HA ' ' A' ' 412' ' ' LEU . 64.9 m-20 -65.58 -12.71 55.56 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.973 176.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.617 HD21 ' HB2' ' A' ' 425' ' ' LYS . 96.4 mt -84.73 8.33 17.44 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -176.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -160.93 -175.86 5.17 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.51 -0.476 . . . . 0.0 111.861 178.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 91.74 16.79 50.92 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -175.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 106.88 10.16 28.93 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.95 -0.643 . . . . 0.0 111.528 -177.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 40.4 mm -111.56 135.53 50.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.622 0.249 . . . . 0.0 110.587 -176.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . 0.459 ' NZ ' ' HB3' ' A' ' 421' ' ' LYS . 9.2 mtpm? -117.34 108.6 15.79 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.877 173.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . 0.488 ' OD2' ' HG2' ' A' ' 425' ' ' LYS . 18.5 t70 -143.99 140.92 29.87 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.547 -176.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 91.9 mt -110.57 -11.96 14.4 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.071 0.463 . . . . 0.0 110.625 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . 0.509 ' O ' ' HG2' ' A' ' 428' ' ' ARG . 41.1 t -70.39 -44.57 67.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.329 -177.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . 0.617 ' HB2' HD21 ' A' ' 416' ' ' LEU . 68.0 mmtt -59.05 -30.17 67.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.532 179.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 426' ' ' GLU . . . . . 0.6 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 45.7 tt0 -71.05 -46.95 61.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.007 -178.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -59.37 -32.1 69.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.199 0.523 . . . . 0.0 110.307 173.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 428' ' ' ARG . . . . . 0.509 ' HG2' ' O ' ' A' ' 424' ' ' SER . 20.7 mmm180 -73.27 -46.31 50.6 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.085 -177.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.3 pp -62.91 -35.6 80.6 Favored 'General case' 0 CA--C 1.518 -0.288 0 C-N-CA 121.071 -0.252 . . . . 0.0 110.354 -178.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -75.06 -28.44 60.38 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.614 -178.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.711 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 5.6 tp10 -63.54 -53.26 54.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.215 0.531 . . . . 0.0 109.946 178.217 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.667 HG11 HD11 ' A' ' 408' ' ' LEU . 2.5 m -70.06 -34.18 58.34 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.57 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -62.9 -47.05 84.99 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 120.712 0.291 . . . . 0.0 110.318 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 434' ' ' ARG . . . . . 0.711 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 5.1 ptm180 -63.58 -36.61 84.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.1 -178.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 435' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 431' ' ' GLU . 73.7 mt -71.08 -57.56 7.33 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.569 -179.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 437' ' ' THR . 4.5 pp -57.22 -34.99 69.12 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 117.642 0.201 . . . . 0.0 111.483 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 0.733 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 93.3 m -68.57 -55.19 12.47 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.791 178.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -63.49 -32.59 74.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.677 0.275 . . . . 0.0 111.226 -177.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.507 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 26.0 tp -63.21 -56.92 12.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.811 -177.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 440' ' ' LYS . . . . . 0.733 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 55.6 pttt -59.45 -35.6 74.36 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.11 0.481 . . . . 0.0 110.889 -179.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 441' ' ' ARG . . . . . 0.585 ' O ' ' HG2' ' A' ' 445' ' ' GLU . 51.6 mmm-85 -61.74 -60.0 4.33 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.954 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . 0.434 ' O ' ' HB3' ' A' ' 446' ' ' ALA . 34.9 mttm -71.92 -9.58 58.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.042 -0.527 . . . . 0.0 112.219 -174.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 74.3 mt -87.73 -26.23 23.04 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.731 0.301 . . . . 0.0 110.62 174.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -98.47 -49.98 4.46 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . 0.585 ' HG2' ' O ' ' A' ' 441' ' ' ARG . 12.3 pt-20 -100.14 21.51 12.77 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -171.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 442' ' ' LYS . . . . . . . . 0 C--O 1.245 0.849 0 CA-C-O 118.406 -0.807 . . . . 0.0 110.398 176.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.635 0 N-CA-C 112.386 -0.286 . . . . 0.0 112.386 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 43.2 m -101.99 -2.54 29.45 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.831 0.348 . . . . 0.0 111.122 -176.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.2 113.39 26.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.307 0.575 . . . . 0.0 110.536 178.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.531 ' H ' HD21 ' A' ' 443' ' ' LEU . 1.8 p -123.21 90.86 3.36 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.353 178.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . 0.623 HE22 ' HB2' ' A' ' 444' ' ' ARG . 8.6 tp-100 -67.99 -31.89 71.9 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 177.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -66.53 -14.83 62.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.291 175.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.18 -60.75 6.77 Favored Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 178.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.563 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -71.09 -29.26 35.94 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.497 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 177.305 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.572 ' O ' HG22 ' A' ' 402' ' ' ILE . 0.4 OUTLIER -54.26 -58.06 8.81 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.985 0.421 . . . . 0.0 111.465 179.31 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -71.23 -41.44 70.18 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.799 -177.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -64.19 -38.12 89.93 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.507 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 402' ' ' ILE . . . . . 0.572 HG22 ' O ' ' A' ' 399' ' ' LYS . 11.1 tt -68.34 -31.89 53.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -178.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.571 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 92.2 mtt180 -59.66 -45.04 93.23 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 120.284 -0.567 . . . . 0.0 110.098 173.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . 0.411 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 31.9 mmm180 -73.27 -42.11 62.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.013 -178.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 405' ' ' GLN . . . . . 0.469 ' NE2' ' HB3' ' A' ' 436' ' ' LEU . 29.2 mt-30 -70.82 -46.74 62.24 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.552 -177.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -64.21 -28.99 70.12 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.164 177.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.571 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.3 t80 -61.57 -55.35 31.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.999 176.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.561 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.4 pp -73.62 -32.44 64.06 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.236 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 409' ' ' LEU . . . . . 0.49 ' O ' ' HB2' ' A' ' 413' ' ' HIS . 6.0 tt -60.81 -48.41 81.93 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -61.62 -42.38 98.8 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.076 177.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 52.8 m -61.42 -54.87 37.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 4.3 pp -69.22 -21.43 63.93 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.887 0.375 . . . . 0.0 111.142 -178.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . 0.49 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 13.6 t-160 -68.12 -27.32 66.36 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 173.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -79.08 -27.73 43.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.412 175.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 415' ' ' ASP . . . . . 0.413 ' OD2' ' HA ' ' A' ' 412' ' ' LEU . 10.2 m-20 -70.23 -2.78 14.3 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.73 178.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 86.1 mt -99.54 2.78 45.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.848 0.356 . . . . 0.0 110.582 179.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -130.89 164.35 25.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.438 -174.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 97.76 15.6 36.42 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.276 -178.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 98.28 2.35 57.91 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.028 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 44.1 mm -75.08 134.32 29.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.827 0.346 . . . . 0.0 111.059 -177.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -101.21 89.26 3.72 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 174.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -141.39 133.76 28.17 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.664 0.269 . . . . 0.0 110.838 -175.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 91.8 mt -115.86 -12.16 11.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.107 175.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 39.4 m -64.61 -44.73 89.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.051 -176.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . 0.536 ' CG ' ' HB2' ' A' ' 412' ' ' LEU . 2.9 mppt? -74.71 -20.51 59.82 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 426' ' ' GLU . . . . . 0.665 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 33.7 tt0 -76.26 -43.23 42.81 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.427 0.632 . . . . 0.0 109.496 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -65.27 -28.36 69.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.823 172.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 428' ' ' ARG . . . . . 0.49 ' O ' ' HB3' ' A' ' 431' ' ' GLU . 62.8 ttt180 -81.87 -35.24 29.49 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.724 -177.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.4 pp -62.51 -33.59 75.2 Favored 'General case' 0 CA--C 1.515 -0.367 0 C-N-CA 119.912 -0.715 . . . . 0.0 109.228 174.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 430' ' ' TRP . . . . . 0.414 ' N ' HD12 ' A' ' 429' ' ' LEU . 1.7 t90 -76.31 -26.75 56.14 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.859 176.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.565 ' O ' HG13 ' A' ' 435' ' ' ILE . 35.3 tt0 -62.25 -62.46 1.75 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.574 177.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 428' ' ' ARG . 2.7 m -67.5 -25.97 34.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.618 -178.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . 0.568 ' HB2' ' O ' ' A' ' 429' ' ' LEU . 8.1 tt0 -64.59 -47.6 78.04 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.26 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 434' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 19.7 ptt180 -72.43 -23.51 61.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.674 -179.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 435' ' ' ILE . . . . . 0.565 HG13 ' O ' ' A' ' 431' ' ' GLU . 74.1 mt -69.8 -57.34 8.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.537 176.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . 0.51 HD22 HG13 ' A' ' 402' ' ' ILE . 4.5 pp -60.87 -33.56 73.26 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-O 120.723 0.296 . . . . 0.0 110.801 179.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 0.788 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 81.6 m -70.6 -52.43 21.5 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.371 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -59.7 -37.25 78.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.002 0.429 . . . . 0.0 110.485 -178.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.415 ' O ' ' HB2' ' A' ' 443' ' ' LEU . 48.8 tp -63.59 -59.21 4.92 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.813 178.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 440' ' ' LYS . . . . . 0.788 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 63.8 pttt -62.39 -28.04 69.5 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 -174.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 441' ' ' ARG . . . . . 0.474 ' HA ' ' HG2' ' A' ' 445' ' ' GLU . 40.6 mmt180 -73.92 -50.63 19.22 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.14 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -76.88 -1.95 31.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.876 0.369 . . . . 0.0 111.145 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.531 HD21 ' H ' ' A' ' 394' ' ' THR . 1.2 tm? -102.7 -53.03 2.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.773 179.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . 0.623 ' HB2' HE22 ' A' ' 395' ' ' GLN . 42.4 ttp180 -90.86 -32.15 16.16 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -173.08 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . 0.474 ' HG2' ' HA ' ' A' ' 441' ' ' ARG . 2.8 mm-40 -87.93 5.17 41.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.905 0.383 . . . . 0.0 110.98 -171.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.48 -0.771 . . . . 0.0 110.692 -179.783 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.532 0 N-CA-C 111.595 -0.602 . . . . 0.0 111.595 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 45.6 m -82.37 146.51 29.33 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 110.229 -0.285 . . . . 0.0 110.229 178.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . 0.521 ' HG2' HD22 ' A' ' 443' ' ' LEU . 1.2 tm-20 -79.66 128.6 33.6 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.11 0.481 . . . . 0.0 110.299 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 12.5 m -143.39 102.85 4.03 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.744 174.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . 0.401 ' OE1' ' HB3' ' A' ' 443' ' ' LEU . 14.5 mm100 -61.04 -31.41 71.05 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.627 175.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -71.35 -16.67 62.44 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.234 173.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -66.34 -61.91 5.05 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.594 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.474 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -63.62 -34.01 65.14 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.39 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.438 ' HA ' ' HD3' ' A' ' 399' ' ' LYS . 12.6 tppt? -55.64 -52.69 62.97 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 120.918 0.389 . . . . 0.0 111.004 177.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -66.88 -48.12 69.76 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.186 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' GLU . . . . . 0.447 ' HB3' HE21 ' A' ' 405' ' ' GLN . 52.5 mt-10 -63.68 -39.01 93.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.115 -176.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 402' ' ' ILE . . . . . 0.442 HG13 ' HB2' ' A' ' 436' ' ' LEU . 14.2 tt -70.05 -35.46 64.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 C-N-CA 121.355 -0.138 . . . . 0.0 110.85 -176.402 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.631 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 74.6 mtt180 -62.8 -41.03 99.11 Favored 'General case' 0 CA--C 1.517 -0.323 0 C-N-CA 120.63 -0.428 . . . . 0.0 109.896 175.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . 0.486 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 35.0 mmt180 -70.24 -49.17 52.7 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.558 178.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 405' ' ' GLN . . . . . 0.447 HE21 ' HB3' ' A' ' 401' ' ' GLU . 48.1 mt-30 -69.29 -42.51 75.39 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-N 116.132 -0.485 . . . . 0.0 112.217 -175.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -71.22 -26.28 62.86 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 119.858 -0.737 . . . . 0.0 110.437 178.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.631 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 1.1 t80 -63.74 -56.5 15.15 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 174.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.556 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.6 pp -68.59 -32.16 71.86 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.963 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 409' ' ' LEU . . . . . 0.496 ' N ' HD12 ' A' ' 408' ' ' LEU . 7.3 tt -59.18 -50.77 72.77 Favored 'General case' 0 C--O 1.225 -0.214 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 175.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 410' ' ' ASN . . . . . 0.519 ' C ' HD22 ' A' ' 410' ' ' ASN . 0.2 OUTLIER -58.16 -48.2 81.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.86 177.34 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 28.0 m -55.07 -60.81 2.86 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.218 178.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.847 ' HB2' ' HG2' ' A' ' 425' ' ' LYS . 4.5 pp -67.01 -23.8 65.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.791 0.329 . . . . 0.0 111.171 -176.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . 0.42 ' N ' HD12 ' A' ' 412' ' ' LEU . 16.7 t-160 -63.0 -34.57 77.85 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.165 0.507 . . . . 0.0 109.978 174.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -78.34 -23.63 46.88 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.409 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -79.11 7.4 7.54 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.27 177.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.462 HD21 ' HB2' ' A' ' 425' ' ' LYS . 96.9 mt -108.68 -1.06 19.76 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -178.101 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -138.18 168.0 20.65 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.085 -177.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 100.28 13.69 35.29 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.939 -0.648 . . . . 0.0 112.02 -178.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 100.25 30.33 6.35 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.574 -0.822 . . . . 0.0 111.645 -178.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 48.8 mm -109.49 127.7 66.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.788 0.327 . . . . 0.0 110.815 -177.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -93.47 83.43 4.53 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 175.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -134.52 125.81 28.08 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.453 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.6 mp -113.16 -7.91 13.59 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.453 0.644 . . . . 0.0 109.379 176.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 22.9 t -66.93 -48.54 68.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.5 -177.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . 0.847 ' HG2' ' HB2' ' A' ' 412' ' ' LEU . 3.1 mppt? -76.45 -17.19 59.44 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.633 -179.018 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 426' ' ' GLU . . . . . 0.64 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 1.0 OUTLIER -62.49 -57.13 12.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.737 0.78 . . . . 0.0 109.289 173.848 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -66.13 -24.67 66.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.077 177.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 428' ' ' ARG . . . . . 0.565 ' HB3' ' HA ' ' A' ' 425' ' ' LYS . 12.8 tpt180 -74.99 -43.67 52.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.801 -177.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.655 ' HB3' HD11 ' A' ' 412' ' ' LEU . 3.9 pp -61.2 -41.68 97.25 Favored 'General case' 0 CA--C 1.513 -0.456 0 C-N-CA 120.604 -0.438 . . . . 0.0 109.882 179.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 430' ' ' TRP . . . . . 0.411 ' N ' HD12 ' A' ' 429' ' ' LEU . 3.8 t90 -71.12 -28.8 64.57 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 120.474 -0.49 . . . . 0.0 110.381 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.687 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 39.8 tt0 -65.83 -53.44 40.04 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.409 179.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.42 HG23 HD12 ' A' ' 409' ' ' LEU . 13.0 m -70.21 -30.09 42.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.714 178.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -65.21 -46.07 82.18 Favored 'General case' 0 CA--C 1.513 -0.468 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 434' ' ' ARG . . . . . 0.687 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 13.6 ptm180 -65.5 -29.09 69.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.242 -178.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 435' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 431' ' ' GLU . 79.2 mt -70.74 -59.49 3.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 121.22 -0.192 . . . . 0.0 110.687 177.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . 0.442 ' HB2' HG13 ' A' ' 402' ' ' ILE . 4.2 pp -58.38 -32.9 69.02 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.682 0.277 . . . . 0.0 110.874 -179.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 0.698 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 86.4 m -73.59 -54.08 9.01 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.461 179.306 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -63.95 -32.54 74.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.77 0.319 . . . . 0.0 110.679 -178.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.566 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 42.5 tp -61.65 -56.63 17.7 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.342 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 440' ' ' LYS . . . . . 0.698 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 51.4 pttt -63.23 -27.53 69.42 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.12 0.486 . . . . 0.0 111.143 179.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 441' ' ' ARG . . . . . 0.458 ' HG2' ' O ' ' A' ' 437' ' ' THR . 35.7 mmt180 -69.06 -53.26 21.31 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.973 178.125 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -72.24 -7.06 47.27 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.728 0.299 . . . . 0.0 111.578 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 56.0 mt -95.67 -17.93 20.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.346 175.13 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -118.17 -47.94 2.55 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -178.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -79.86 -1.87 41.0 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.617 -172.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.542 -0.742 . . . . 0.0 110.903 -177.824 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.45 0 N-CA-C 112.294 -0.322 . . . . 0.0 112.294 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 13.6 p -112.26 127.68 56.04 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 177.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 59.33 26.18 14.99 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.932 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 1.9 p -88.54 83.01 6.81 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.876 -178.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -70.01 -41.86 73.77 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.529 0.68 . . . . 0.0 109.343 176.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -69.3 -14.89 63.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.978 176.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.04 -57.84 15.43 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.485 177.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.536 HD12 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -64.37 -37.5 80.13 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.573 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 178.28 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.673 ' O ' ' HG3' ' A' ' 403' ' ' ARG . 33.6 mmtp -57.92 -50.9 71.77 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.309 -178.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . 0.418 ' OE1' ' HD3' ' A' ' 403' ' ' ARG . 5.9 tp10 -66.01 -50.57 63.79 Favored 'General case' 0 C--O 1.244 0.805 0 CA-C-O 121.403 0.62 . . . . 0.0 110.576 178.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' GLU . . . . . 0.446 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 44.0 mt-10 -57.33 -50.69 72.15 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.913 -179.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 402' ' ' ILE . . . . . 0.52 ' HA ' ' HB2' ' A' ' 405' ' ' GLN . 11.5 tt -60.83 -28.99 44.4 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.225 0 N-CA-C 111.355 0.132 . . . . 0.0 111.355 -175.161 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.673 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 56.5 mtp180 -58.89 -52.65 64.83 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 173.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . 0.462 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 29.9 mmm180 -73.79 -38.98 64.46 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.229 -178.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 405' ' ' GLN . . . . . 0.52 ' HB2' ' HA ' ' A' ' 402' ' ' ILE . 97.7 mt-30 -60.11 -55.76 29.96 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.548 177.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -60.9 -30.37 70.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.949 0.404 . . . . 0.0 110.285 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.466 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 1.9 t80 -63.03 -53.33 55.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.182 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.546 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.0 pp -75.62 -29.86 59.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 409' ' ' LEU . . . . . 0.505 HD12 HG13 ' A' ' 432' ' ' VAL . 6.6 tt -61.17 -46.65 89.65 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 176.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -57.72 -40.65 80.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.586 176.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . 0.608 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 30.1 m -65.66 -55.12 19.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.361 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.643 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 3.8 pp -69.44 -19.8 63.78 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 120.294 -0.563 . . . . 0.0 110.752 -179.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . 0.405 ' N ' HD12 ' A' ' 412' ' ' LEU . 11.5 t-160 -72.72 -39.12 67.19 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.409 173.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 414' ' ' ARG . . . . . 0.608 ' HG2' ' O ' ' A' ' 411' ' ' SER . 20.2 ptt180 -76.31 -8.77 57.81 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.567 -179.197 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -63.28 -25.37 68.28 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 167.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 31.0 mt -91.79 38.52 0.99 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.802 -175.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . 0.591 ' HG3' ' O ' ' A' ' 414' ' ' ARG . 56.7 mt-30 -54.96 149.6 11.45 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.559 0.218 . . . . 0.0 111.002 176.3 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -54.75 108.1 0.86 Allowed Glycine 0 N--CA 1.453 -0.217 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.858 -178.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 118.68 -13.08 11.89 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 121.075 -0.583 . . . . 0.0 112.145 -177.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 46.0 mm -92.92 116.93 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.941 0.4 . . . . 0.0 110.659 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -91.17 84.93 5.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.002 0.429 . . . . 0.0 110.526 178.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -125.82 123.38 38.6 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.455 176.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . 0.416 ' N ' HD12 ' A' ' 423' ' ' LEU . 5.7 mp -102.31 -16.07 16.39 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.235 0.54 . . . . 0.0 109.741 -178.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 20.0 t -68.01 -51.81 42.76 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.676 -175.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . 0.643 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 0.0 OUTLIER -74.88 -18.17 60.46 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.438 -177.522 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 426' ' ' GLU . . . . . 0.703 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 34.9 tt0 -72.44 -53.58 11.77 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.09 0.471 . . . . 0.0 110.242 178.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -65.31 -25.48 67.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.156 0.503 . . . . 0.0 110.396 176.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 428' ' ' ARG . . . . . 0.438 ' HE ' ' HB2' ' A' ' 428' ' ' ARG . 8.9 ttm180 -78.79 -39.66 35.24 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.1 -177.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.703 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.3 pp -61.18 -34.85 75.73 Favored 'General case' 0 CA--C 1.514 -0.44 0 C-N-CA 120.358 -0.537 . . . . 0.0 109.68 175.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.1 t90 -71.16 -32.71 69.26 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 120.604 -0.439 . . . . 0.0 110.719 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.634 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 42.6 tt0 -61.34 -55.04 36.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.375 178.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.505 HG13 HD12 ' A' ' 409' ' ' LEU . 7.5 p -68.64 -30.79 48.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.584 179.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -64.69 -48.43 74.73 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-O 120.983 0.421 . . . . 0.0 110.256 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 434' ' ' ARG . . . . . 0.634 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 3.9 ptm180 -64.64 -30.05 71.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.11 -177.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 435' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 431' ' ' GLU . 86.2 mt -68.29 -59.07 4.08 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.216 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.652 176.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . 0.431 ' O ' ' HG2' ' A' ' 440' ' ' LYS . 4.5 pp -60.13 -30.04 69.03 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 120.895 0.379 . . . . 0.0 111.053 -178.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 0.451 ' O ' ' HG2' ' A' ' 441' ' ' ARG . 90.5 m -67.43 -59.6 3.25 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.651 176.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -64.16 -29.69 70.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.911 0.386 . . . . 0.0 111.029 -178.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.417 ' HG ' ' HB ' ' A' ' 398' ' ' ILE . 21.5 tp -64.14 -61.41 2.27 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 -177.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 440' ' ' LYS . . . . . 0.536 ' HB3' HD12 ' A' ' 398' ' ' ILE . 24.1 pttm -63.95 -30.35 71.44 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.435 -0.506 . . . . 0.0 111.425 -176.231 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 441' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 437' ' ' THR . 30.7 mmm180 -70.13 -58.04 4.25 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.43 178.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -67.58 -15.1 63.48 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -177.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 439' ' ' LEU . 3.8 mm? -91.46 -24.62 19.63 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -111.39 -26.92 8.86 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 119.556 -0.858 . . . . 0.0 111.997 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -84.65 -2.42 57.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.781 0.324 . . . . 0.0 111.155 -178.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.867 0 CA-C-O 118.388 -0.815 . . . . 0.0 110.323 179.073 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 391' ' ' GLY . . . . . 0.512 ' N ' ' HG1' ' A' ' 394' ' ' THR . . . . . . . . 0 N--CA 1.484 1.869 0 N-CA-C 111.676 -0.57 . . . . 0.0 111.676 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 26.6 t -63.32 -51.84 64.35 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 179.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -96.47 92.1 6.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.392 0.615 . . . . 0.0 110.348 176.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.512 ' HG1' ' N ' ' A' ' 391' ' ' GLY . 1.5 m -153.21 81.84 1.19 Allowed 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.898 171.148 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -62.14 -33.62 74.84 Favored 'General case' 0 C--O 1.241 0.645 0 CA-C-O 122.059 0.933 . . . . 0.0 108.601 173.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . 0.674 ' HA ' ' HB2' ' A' ' 399' ' ' LYS . . . -63.65 -8.12 9.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.877 173.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.4 -63.51 4.8 Favored Glycine 0 N--CA 1.443 -0.893 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.555 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -71.46 -28.04 30.54 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.594 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.245 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.674 ' HB2' ' HA ' ' A' ' 396' ' ' ALA . 2.7 mptp? -60.63 -52.3 65.73 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.275 178.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -64.81 -50.14 67.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.186 0.517 . . . . 0.0 110.021 176.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' GLU . . . . . 0.498 ' HB3' HE21 ' A' ' 405' ' ' GLN . 41.8 mt-10 -61.8 -38.19 87.19 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.886 -175.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 402' ' ' ILE . . . . . 0.445 HD12 HD11 ' A' ' 398' ' ' ILE . 12.6 tt -68.63 -35.43 70.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 118.217 0.462 . . . . 0.0 110.498 -177.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.62 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 70.8 mtp180 -63.36 -44.93 93.4 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.006 -0.677 . . . . 0.0 109.796 174.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . 0.462 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 75.7 mtp180 -66.3 -50.45 63.62 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.113 178.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 405' ' ' GLN . . . . . 0.498 HE21 ' HB3' ' A' ' 401' ' ' GLU . 47.3 mt-30 -67.39 -49.8 62.37 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 116.002 -0.544 . . . . 0.0 112.279 -176.098 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -63.41 -27.2 69.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 118.255 0.479 . . . . 0.0 110.418 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.62 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.9 t80 -65.12 -55.15 20.35 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.901 176.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.503 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.6 pp -72.28 -27.02 62.21 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.8 179.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 409' ' ' LEU . . . . . 0.478 ' N ' HD12 ' A' ' 408' ' ' LEU . 14.7 tp -63.81 -47.82 79.34 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 176.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -55.54 -41.53 73.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.372 173.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . 0.641 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 24.5 m -63.38 -59.57 4.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.182 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.612 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 4.0 pp -66.53 -19.38 65.77 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.789 -177.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 22.9 m170 -68.02 -37.83 81.86 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.801 0.334 . . . . 0.0 110.605 172.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 414' ' ' ARG . . . . . 0.641 ' HG2' ' O ' ' A' ' 411' ' ' SER . 5.3 ptp180 -78.17 -13.67 59.77 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 177.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -79.43 -8.21 58.95 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.527 173.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 95.9 mt -99.65 -52.9 3.34 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.613 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 25.4 pt20 -73.98 150.95 40.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.075 -178.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 112.43 9.11 20.27 Favored Glycine 0 N--CA 1.446 -0.65 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.788 -177.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 87.49 27.35 27.6 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.993 -0.623 . . . . 0.0 111.814 -178.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 37.9 mm -94.85 137.85 22.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.94 0.4 . . . . 0.0 110.814 -176.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -105.06 99.86 9.47 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.847 175.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . 0.61 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 11.6 t70 -135.98 142.42 44.53 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 178.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 74.5 mt -109.67 -29.67 8.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.129 0.49 . . . . 0.0 110.636 -178.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 50.4 m -68.58 -44.61 74.03 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.136 -175.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . 0.612 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 9.6 mptt -60.99 -34.91 75.52 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.062 0.458 . . . . 0.0 110.811 -179.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 426' ' ' GLU . . . . . 0.536 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 11.6 tp10 -64.45 -58.46 6.37 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.233 -177.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -65.63 -24.7 67.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.95 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 428' ' ' ARG . . . . . 0.403 ' O ' HG23 ' A' ' 432' ' ' VAL . 16.1 tpt180 -73.08 -44.04 61.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.271 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 3.0 pp -66.09 -37.05 84.82 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.588 -175.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -73.58 -33.49 64.66 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.18 0.514 . . . . 0.0 110.008 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.486 ' O ' HG13 ' A' ' 435' ' ' ILE . 41.8 tt0 -61.22 -52.48 64.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.631 174.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.414 ' CG1' ' HB3' ' A' ' 405' ' ' GLN . 71.0 t -56.79 -50.31 75.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.315 177.19 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -59.21 -43.59 92.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.845 -176.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 434' ' ' ARG . . . . . 0.468 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 13.0 ptt180 -71.37 -25.06 62.21 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.156 -175.267 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 435' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 431' ' ' GLU . 76.9 mt -74.91 -53.96 15.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-O 120.536 0.208 . . . . 0.0 111.094 178.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . . . . . . . . . 4.3 pp -61.86 -34.25 75.65 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.603 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 85.9 m -72.34 -44.93 61.93 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.031 179.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.23 -44.54 95.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.975 0.417 . . . . 0.0 110.719 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.494 HD23 ' HB ' ' A' ' 398' ' ' ILE . 42.5 tp -61.99 -57.89 9.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.607 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 440' ' ' LYS . . . . . 0.555 ' HB3' HG13 ' A' ' 398' ' ' ILE . 20.6 ptmt -59.22 -38.4 79.86 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.928 0.394 . . . . 0.0 111.56 -174.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 441' ' ' ARG . . . . . 0.429 ' CZ ' ' HG3' ' A' ' 445' ' ' GLU . 21.0 mmm180 -72.63 -42.01 64.9 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.588 -176.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -85.28 -6.34 59.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.574 0.226 . . . . 0.0 111.491 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 57.1 tp -95.25 -42.28 8.62 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.627 0.251 . . . . 0.0 110.792 178.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 41.3 ttt-85 -103.75 -46.81 4.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.829 -174.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . 0.429 ' HG3' ' CZ ' ' A' ' 441' ' ' ARG . 36.3 mm-40 -84.5 -6.18 59.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.801 0.334 . . . . 0.0 111.396 -171.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.927 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.923 -177.663 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.749 0 N-CA-C 111.504 -0.638 . . . . 0.0 111.504 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 25.6 m -109.06 -23.63 11.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.625 0.25 . . . . 0.0 111.22 -178.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -90.77 91.19 8.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.993 0.425 . . . . 0.0 110.588 -174.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -87.62 96.07 10.28 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.937 0.399 . . . . 0.0 111.147 -178.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -69.95 -32.06 70.13 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 174.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -67.87 -11.62 59.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.405 174.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.95 -58.76 11.39 Favored Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.381 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.562 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -69.41 -31.04 47.84 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.501 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 177.68 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.897 ' HA ' ' HE3' ' A' ' 399' ' ' LYS . 0.3 OUTLIER -54.37 -62.98 1.3 Allowed 'General case' 0 C--O 1.236 0.366 0 CA-C-O 120.896 0.379 . . . . 0.0 111.815 -179.531 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . 0.522 ' OE1' ' HD2' ' A' ' 403' ' ' ARG . 6.2 tp10 -67.96 -43.28 79.39 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.156 0.503 . . . . 0.0 110.317 -175.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' GLU . . . . . 0.486 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 51.9 mm-40 -61.66 -43.76 98.24 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.148 -179.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 402' ' ' ILE . . . . . 0.562 HD12 HD11 ' A' ' 398' ' ' ILE . 11.5 tt -63.42 -31.29 52.32 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.219 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.689 -176.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.526 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 84.8 mtt180 -58.67 -49.47 77.44 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.182 0.515 . . . . 0.0 109.833 173.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 30.3 mmm180 -71.45 -40.8 70.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.982 -178.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 405' ' ' GLN . . . . . 0.655 ' NE2' ' HB3' ' A' ' 436' ' ' LEU . 26.8 mt-30 -67.5 -49.32 64.01 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.508 -178.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -62.69 -30.11 71.15 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.098 0.475 . . . . 0.0 109.801 176.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.526 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.3 t80 -60.84 -54.09 49.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.72 177.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.536 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.5 pp -73.32 -29.36 62.63 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.182 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 409' ' ' LEU . . . . . 0.479 ' O ' ' HB2' ' A' ' 413' ' ' HIS . 7.1 tt -62.91 -46.75 86.34 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -60.25 -41.19 92.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.34 0.591 . . . . 0.0 109.955 177.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 30.6 t -64.77 -56.37 14.0 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.22 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 4.3 pp -67.72 -19.26 65.13 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.549 -0.46 . . . . 0.0 111.047 -179.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . 0.479 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 17.2 t-160 -66.69 -42.28 86.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.048 175.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -79.77 -12.47 59.78 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.001 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -66.72 -18.07 65.18 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.927 0.394 . . . . 0.0 111.383 173.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.481 HD21 ' HB2' ' A' ' 425' ' ' LYS . 68.8 mt -81.48 -34.24 31.45 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.684 178.389 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -89.25 163.92 15.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.36 -177.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 104.2 21.31 9.54 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.555 179.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 86.7 19.46 56.33 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.725 -0.75 . . . . 0.0 111.314 -178.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 41.1 mm -95.5 139.28 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.909 0.385 . . . . 0.0 110.23 -176.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . 0.508 ' N ' ' HD2' ' A' ' 421' ' ' LYS . 9.4 mptt -109.5 65.21 0.61 Allowed 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . 0.491 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 11.2 t70 -110.38 137.6 47.89 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.426 -176.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . 0.429 ' N ' HD12 ' A' ' 423' ' ' LEU . 5.3 mp -114.6 -22.65 9.66 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.081 0.467 . . . . 0.0 110.481 178.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 58.2 p -63.37 -45.69 89.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.702 -174.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . 0.491 ' HD3' ' OD1' ' A' ' 422' ' ' ASP . 13.5 mptt -66.48 -26.22 67.08 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.739 0.304 . . . . 0.0 110.978 -177.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 426' ' ' GLU . . . . . 0.685 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 41.2 tt0 -71.73 -44.16 64.62 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.319 0.581 . . . . 0.0 109.715 -178.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -69.55 -22.99 63.51 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.906 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -77.62 -42.87 33.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.075 179.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.685 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.6 pp -61.32 -32.41 72.28 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 177.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 430' ' ' TRP . . . . . 0.413 ' N ' HD12 ' A' ' 429' ' ' LEU . 1.8 t90 -78.67 -33.94 46.68 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.366 177.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.605 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 32.1 tt0 -59.38 -58.5 8.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.326 176.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.438 HG13 HD12 ' A' ' 409' ' ' LEU . 10.1 p -66.22 -30.44 49.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.813 -178.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . 0.545 ' HB2' ' O ' ' A' ' 429' ' ' LEU . 8.5 tt0 -64.82 -48.19 75.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.103 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 434' ' ' ARG . . . . . 0.605 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 5.2 ptm180 -67.41 -30.8 70.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.483 -176.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 435' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 431' ' ' GLU . 87.2 mt -69.5 -52.48 32.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.852 179.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . 0.655 ' HB3' ' NE2' ' A' ' 405' ' ' GLN . 4.5 pp -63.94 -33.06 74.85 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.797 0.332 . . . . 0.0 110.431 -179.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 0.834 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 74.0 m -70.23 -54.02 14.53 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.035 178.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.06 -37.48 79.99 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.638 0.256 . . . . 0.0 111.093 -176.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.471 ' O ' ' HB2' ' A' ' 443' ' ' LEU . 47.2 tp -65.12 -56.69 11.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.892 -179.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 440' ' ' LYS . . . . . 0.834 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 62.5 pttt -61.36 -31.78 71.67 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.748 0.308 . . . . 0.0 110.917 -177.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 441' ' ' ARG . . . . . 0.448 ' HG2' ' O ' ' A' ' 437' ' ' THR . 35.7 mmt180 -64.96 -61.78 1.95 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.464 177.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . 0.781 ' HA ' ' HA ' ' A' ' 446' ' ' ALA . 4.7 mptp? -79.67 7.91 7.56 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -175.001 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.471 ' HB2' ' O ' ' A' ' 439' ' ' LEU . 0.5 OUTLIER -92.88 -43.05 9.17 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 171.759 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -96.03 -49.86 5.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.361 0.6 . . . . 0.0 111.19 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -120.1 56.5 0.96 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.154 -174.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . 0.781 ' HA ' ' HA ' ' A' ' 442' ' ' LYS . . . . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.355 -0.831 . . . . 0.0 112.292 -178.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.501 0 N-CA-C 111.749 -0.54 . . . . 0.0 111.749 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 19.7 m -112.46 6.37 18.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.324 0.583 . . . . 0.0 109.967 177.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . 0.517 ' H ' ' CD ' ' A' ' 393' ' ' GLU . 1.4 pm0 -81.11 173.38 12.63 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.021 -177.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 6.1 p -122.09 101.01 7.27 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.756 -176.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -70.26 -26.16 63.7 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 173.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -71.39 -11.83 61.1 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.929 173.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.55 -57.18 11.82 Favored Glycine 0 N--CA 1.446 -0.694 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.551 177.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.79 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -69.0 -32.56 54.96 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.508 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 176.719 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.836 ' HA ' ' HE3' ' A' ' 399' ' ' LYS . 0.1 OUTLIER -57.21 -48.32 79.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.74 0.305 . . . . 0.0 110.321 177.059 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -65.28 -53.03 50.21 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.385 0.612 . . . . 0.0 110.716 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -61.55 -35.7 78.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.248 -178.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 402' ' ' ILE . . . . . 0.79 HD12 HD11 ' A' ' 398' ' ' ILE . 0.5 OUTLIER -67.62 -30.98 50.51 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.527 0 CA-C-N 116.818 -0.174 . . . . 0.0 110.765 179.601 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.583 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 58.1 mtp180 -60.15 -45.2 93.87 Favored 'General case' 0 CA--C 1.519 -0.247 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 174.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 -68.52 -47.27 67.38 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.695 178.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 405' ' ' GLN . . . . . 0.568 ' NE2' ' HB3' ' A' ' 436' ' ' LEU . 28.6 mt-30 -70.11 -46.52 64.65 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.357 0.502 . . . . 0.0 112.357 -176.124 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . 0.49 ' HG2' HG12 ' A' ' 402' ' ' ILE . 35.1 mm-40 -63.85 -32.67 74.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 118.077 0.398 . . . . 0.0 110.377 178.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.57 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.0 t80 -60.67 -52.5 64.87 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.04 178.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.623 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.8 pp -75.18 -27.36 59.61 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.968 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 409' ' ' LEU . . . . . 0.527 HD12 HD11 ' A' ' 412' ' ' LEU . 26.3 tp -62.94 -44.19 96.75 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 175.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -62.0 -41.13 97.72 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.332 174.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 41.7 m -65.29 -50.88 64.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.337 -178.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.73 HD13 ' HB3' ' A' ' 429' ' ' LEU . 3.7 pp -69.36 -21.83 63.78 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.597 179.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . 0.489 ' N ' HD12 ' A' ' 412' ' ' LEU . 9.5 m170 -73.15 -39.23 65.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.78 0.324 . . . . 0.0 110.707 174.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 414' ' ' ARG . . . . . 0.419 ' O ' ' HG2' ' A' ' 417' ' ' GLN . 12.0 ptp180 -81.96 -2.22 50.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.476 0.655 . . . . 0.0 109.736 175.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -89.35 -29.99 18.72 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.256 -0.883 . . . . 0.0 109.381 173.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.457 HD21 ' HB2' ' A' ' 425' ' ' LYS . 37.5 mt -87.62 36.3 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.366 178.169 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' ' 414' ' ' ARG . 12.5 mm100 -54.55 146.77 15.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.409 173.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -57.04 100.71 0.13 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 121.145 -0.55 . . . . 0.0 112.391 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 131.49 -15.58 5.22 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.265 -178.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 50.1 mm -83.51 120.93 35.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.848 0.356 . . . . 0.0 110.499 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -86.39 77.76 9.41 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.165 178.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -133.51 125.36 28.75 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 177.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -104.85 -26.82 12.07 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.994 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 27.5 p -62.98 -39.47 94.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.122 -177.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . 0.457 ' HB2' HD21 ' A' ' 416' ' ' LEU . 0.2 OUTLIER -65.79 -24.9 67.03 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.842 0.353 . . . . 0.0 110.972 179.554 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 426' ' ' GLU . . . . . 0.753 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 39.7 tt0 -79.8 -48.94 12.74 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.353 0.597 . . . . 0.0 109.977 -177.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -67.57 -27.81 67.25 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.196 0.522 . . . . 0.0 110.004 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 428' ' ' ARG . . . . . 0.43 ' O ' ' HB3' ' A' ' 431' ' ' GLU . 49.1 mtp180 -80.77 -30.68 36.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.761 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.753 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.4 pp -67.66 -35.48 78.94 Favored 'General case' 0 CA--C 1.51 -0.586 0 C-N-CA 119.779 -0.768 . . . . 0.0 109.501 176.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -74.69 -28.5 60.85 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.878 178.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.587 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 32.4 tt0 -58.78 -62.84 1.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.87 176.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 34.3 m -67.56 -28.69 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 C-N-CA 121.056 -0.258 . . . . 0.0 111.212 -178.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -65.78 -44.41 85.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.387 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 434' ' ' ARG . . . . . 0.587 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 13.5 ptm180 -70.13 -32.54 70.6 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.291 179.281 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 435' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 431' ' ' GLU . 80.3 mt -67.56 -53.93 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.955 178.134 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . 0.568 ' HB3' ' NE2' ' A' ' 405' ' ' GLN . 4.5 pp -62.25 -33.14 74.03 Favored 'General case' 0 CA--C 1.523 -0.089 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.891 -178.035 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 0.713 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 85.8 m -68.25 -54.78 15.3 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.743 177.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.88 -40.54 93.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.133 -177.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.432 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 34.7 tp -61.8 -56.29 21.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.437 -176.349 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 440' ' ' LYS . . . . . 0.713 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 51.8 pttt -62.01 -32.2 72.65 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.944 0.402 . . . . 0.0 111.346 -176.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 441' ' ' ARG . . . . . 0.481 ' HA ' ' HE ' ' A' ' 441' ' ' ARG . 1.5 mmp_? -77.73 -40.75 40.05 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -178.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -75.49 -15.3 60.42 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -178.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 87.4 mt -88.89 -42.77 11.64 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.893 0.378 . . . . 0.0 110.889 176.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -90.87 -41.9 10.93 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.253 -0.431 . . . . 0.0 112.107 -173.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -90.75 24.47 2.7 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.816 0.341 . . . . 0.0 110.986 -174.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.929 0 CA-C-O 118.469 -0.777 . . . . 0.0 110.33 179.617 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.543 0 N-CA-C 112.051 -0.42 . . . . 0.0 112.051 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 52.3 m 59.95 -166.51 0.19 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 122.945 0.498 . . . . 0.0 112.03 178.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -64.44 118.22 8.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.853 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -141.93 87.02 2.02 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.624 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . 0.449 ' O ' ' HD3' ' A' ' 399' ' ' LYS . 18.1 mm-40 -60.7 -36.6 79.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.833 0.349 . . . . 0.0 110.202 174.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . 0.425 ' HA ' ' HB2' ' A' ' 399' ' ' LYS . . . -65.62 -14.51 61.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.828 177.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.03 -63.61 4.26 Favored Glycine 0 N--CA 1.441 -0.985 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.552 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -72.67 -33.27 44.0 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.806 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 178.686 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.454 ' O ' HG22 ' A' ' 402' ' ' ILE . 3.0 mptp? -57.75 -54.46 46.64 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -178.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -70.65 -44.95 66.07 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.813 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' GLU . . . . . 0.568 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 33.7 mt-10 -63.7 -40.7 97.44 Favored 'General case' 0 C--O 1.219 -0.519 0 N-CA-C 111.671 0.249 . . . . 0.0 111.671 -179.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 402' ' ' ILE . . . . . 0.552 HD12 HD11 ' A' ' 398' ' ' ILE . 10.5 tt -64.9 -33.25 62.3 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.531 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 -178.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.633 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 96.4 mtt180 -61.89 -39.47 92.08 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 120.716 -0.393 . . . . 0.0 109.99 174.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . 0.463 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 13.4 mmt180 -72.25 -43.59 64.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.799 176.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 405' ' ' GLN . . . . . 0.568 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 46.3 mt-30 -66.67 -48.84 68.08 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.486 -177.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . 0.462 ' HG2' HG12 ' A' ' 402' ' ' ILE . 7.2 mm-40 -63.05 -30.72 71.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.972 0.415 . . . . 0.0 110.105 176.356 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.633 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 5.4 t80 -61.81 -55.73 26.9 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.983 178.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.625 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.0 pp -73.89 -25.91 60.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.395 179.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 409' ' ' LEU . . . . . 0.601 HD12 HD11 ' A' ' 412' ' ' LEU . 23.7 tp -64.95 -43.98 90.95 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 175.333 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -60.45 -41.99 95.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.767 174.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 35.5 t -62.68 -52.46 63.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.249 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.631 HD13 ' HB3' ' A' ' 429' ' ' LEU . 3.4 pp -71.37 -21.55 62.01 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.376 -0.529 . . . . 0.0 111.266 -178.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . 0.507 ' N ' HD12 ' A' ' 412' ' ' LEU . 5.4 m170 -73.89 -40.28 63.3 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.838 -0.345 . . . . 0.0 111.346 174.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 414' ' ' ARG . . . . . 0.458 ' O ' ' HG3' ' A' ' 417' ' ' GLN . 13.8 ptp180 -76.23 -7.98 56.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.347 0.594 . . . . 0.0 109.571 175.248 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -84.87 -21.56 29.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.735 174.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 412' ' ' LEU . 88.1 mt -96.22 30.36 2.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.403 -176.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . 0.458 ' HG3' ' O ' ' A' ' 414' ' ' ARG . 50.7 mt-30 -56.26 145.32 27.08 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.721 -0.218 . . . . 0.0 110.421 176.627 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -53.3 109.24 0.96 Allowed Glycine 0 C--N 1.331 0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.665 -178.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 124.1 -23.3 6.55 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 121.199 -0.524 . . . . 0.0 111.941 -177.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 43.7 mm -82.59 126.05 39.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 178.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -103.24 73.04 1.19 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.962 0.41 . . . . 0.0 111.174 -176.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . 0.461 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 9.9 t0 -119.41 108.18 14.25 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 174.303 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -88.35 -19.12 27.08 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.082 -177.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 19.1 m -67.98 -43.75 78.22 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.035 0.445 . . . . 0.0 110.007 -178.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . 0.461 ' HD3' ' OD1' ' A' ' 422' ' ' ASP . 0.2 OUTLIER -61.58 -26.91 68.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.522 179.371 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 426' ' ' GLU . . . . . 0.706 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 34.8 tt0 -77.11 -53.52 7.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.188 0.518 . . . . 0.0 110.497 -175.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -63.25 -34.05 76.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.212 0.529 . . . . 0.0 110.235 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 428' ' ' ARG . . . . . 0.447 ' O ' HG23 ' A' ' 432' ' ' VAL . 11.0 mmt180 -70.24 -39.62 74.92 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.032 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.706 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 3.2 pp -62.23 -38.28 88.63 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 120.124 -0.63 . . . . 0.0 110.072 -178.025 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.4 t90 -70.81 -35.9 72.72 Favored 'General case' 0 N--CA 1.443 -0.807 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.858 -177.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.603 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 20.4 tp10 -67.99 -41.66 81.95 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 177.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 428' ' ' ARG . 72.3 t -61.9 -48.86 86.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.716 175.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -61.68 -45.36 94.35 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.333 -177.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 434' ' ' ARG . . . . . 0.603 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 9.2 ptm180 -65.96 -28.72 69.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.621 -176.089 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 435' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 431' ' ' GLU . 70.5 mt -74.79 -57.77 5.9 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.254 0 CA-C-N 116.874 -0.148 . . . . 0.0 111.159 178.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . 0.463 HD12 ' N ' ' A' ' 437' ' ' THR . 4.1 pp -57.96 -37.67 74.6 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.737 0.303 . . . . 0.0 110.918 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 0.517 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 88.6 m -68.09 -59.49 3.2 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.738 178.141 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.34 -38.15 82.89 Favored 'General case' 0 CA--C 1.52 -0.209 0 C-N-CA 121.235 -0.186 . . . . 0.0 111.027 -175.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.441 HD23 ' HB ' ' A' ' 398' ' ' ILE . 46.5 tp -58.78 -58.5 8.35 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.868 -177.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 440' ' ' LYS . . . . . 0.517 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 58.5 pttt -61.63 -28.31 69.28 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.901 0.381 . . . . 0.0 111.069 -177.129 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 441' ' ' ARG . . . . . 0.61 ' HD3' ' OE1' ' A' ' 445' ' ' GLU . 14.3 mmt180 -72.47 -53.03 13.29 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.869 179.303 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . 0.421 ' HA ' ' HB2' ' A' ' 446' ' ' ALA . 7.7 ptmm? -76.96 -12.05 59.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.986 0.422 . . . . 0.0 111.234 -177.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 44.8 tp -88.02 -48.82 7.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.018 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 38.8 ttt180 -110.34 -31.04 7.43 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -172.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . 0.61 ' OE1' ' HD3' ' A' ' 441' ' ' ARG . 11.9 mt-10 -99.22 12.25 36.72 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.838 0.351 . . . . 0.0 111.145 -174.117 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . 0.421 ' HB2' ' HA ' ' A' ' 442' ' ' LYS . . . . . . . . 0 C--O 1.245 0.82 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.676 -178.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.652 0 N-CA-C 111.684 -0.566 . . . . 0.0 111.684 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 28.9 m -125.17 131.79 53.15 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -73.23 -70.31 0.37 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.756 0.312 . . . . 0.0 110.908 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 33.0 p 50.58 77.82 0.12 Allowed 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.33 -177.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -64.5 -34.71 78.86 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.406 0.622 . . . . 0.0 109.673 177.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . 0.455 ' HA ' ' HB2' ' A' ' 399' ' ' LYS . . . -70.04 -9.55 55.72 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.319 175.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.93 -56.4 21.11 Favored Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 111.124 -0.791 . . . . 0.0 111.124 176.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.566 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -67.52 -32.63 57.91 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.565 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 177.46 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.455 ' HB2' ' HA ' ' A' ' 396' ' ' ALA . 32.4 mmtp -59.27 -46.19 89.2 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.482 177.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -72.94 -41.87 64.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.048 0.452 . . . . 0.0 110.217 178.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' GLU . . . . . 0.598 ' HB3' HE21 ' A' ' 405' ' ' GLN . 30.2 mm-40 -60.02 -48.83 80.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.452 177.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 402' ' ' ILE . . . . . . . . . . . . . 13.2 tt -66.53 -34.89 73.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.705 -0.225 . . . . 0.0 110.836 -174.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.612 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 95.8 mtt180 -59.02 -49.72 76.84 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 174.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . 0.598 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 41.9 mtm-85 -69.47 -49.27 56.44 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.199 -178.366 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 405' ' ' GLN . . . . . 0.598 HE21 ' HB3' ' A' ' 401' ' ' GLU . 47.9 mt-30 -70.85 -33.39 70.59 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -172.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -82.01 -22.57 36.43 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 119.713 -0.795 . . . . 0.0 110.603 177.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.612 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.8 t80 -67.54 -51.79 46.56 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 176.283 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 404' ' ' ARG . 2.0 pp -71.95 -30.51 65.38 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.738 177.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 409' ' ' LEU . . . . . 0.573 ' HB2' ' O ' ' A' ' 405' ' ' GLN . 7.3 tt -58.53 -52.47 65.51 Favored 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 175.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -53.71 -43.83 69.34 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.856 177.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . 0.645 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 20.9 m -64.73 -60.22 3.34 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.852 -179.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.719 HD11 ' HB3' ' A' ' 429' ' ' LEU . 4.4 pp -63.88 -24.2 67.65 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.057 0.456 . . . . 0.0 111.144 -177.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . 0.472 ' N ' HD12 ' A' ' 412' ' ' LEU . 12.6 t-80 -65.22 -41.35 94.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.773 176.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 414' ' ' ARG . . . . . 0.645 ' HG2' ' O ' ' A' ' 411' ' ' SER . 21.5 ptt180 -74.47 -21.07 59.76 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.158 -177.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -69.08 -15.41 63.44 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.317 173.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.649 HD21 ' HB2' ' A' ' 425' ' ' LYS . 93.3 mt -85.91 -12.28 51.0 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -177.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -128.16 174.74 8.99 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.781 -0.367 . . . . 0.0 111.223 -174.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 95.4 19.63 29.59 Favored Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 -177.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 98.72 11.75 46.12 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 121.142 -0.552 . . . . 0.0 111.799 -179.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 42.7 mm -96.8 139.41 19.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.754 0.311 . . . . 0.0 110.163 -178.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . 0.439 ' N ' ' HD2' ' A' ' 421' ' ' LYS . 9.9 mptt -114.48 79.34 1.25 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.094 0.473 . . . . 0.0 109.747 178.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -127.11 138.36 53.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.345 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 86.2 mt -117.57 1.13 12.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.19 175.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 1.9 m -69.65 -52.3 27.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.398 0.618 . . . . 0.0 109.888 -178.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . 0.649 ' HB2' HD21 ' A' ' 416' ' ' LEU . 12.8 mptt -66.61 -22.69 66.12 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.791 178.417 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 426' ' ' GLU . . . . . 0.645 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 39.4 tt0 -71.23 -46.63 60.67 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.43 -178.12 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -64.46 -28.88 69.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.208 0.528 . . . . 0.0 109.804 176.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -78.26 -39.8 39.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.816 -178.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.719 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.3 pp -62.35 -36.94 83.79 Favored 'General case' 0 CA--C 1.513 -0.473 0 C-N-CA 120.171 -0.612 . . . . 0.0 109.559 175.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 430' ' ' TRP . . . . . 0.475 ' N ' HD12 ' A' ' 429' ' ' LEU . 5.1 t90 -72.48 -29.22 63.46 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.542 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.458 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 16.2 tt0 -70.21 -49.26 52.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.343 179.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.528 ' HB ' ' HB3' ' A' ' 405' ' ' GLN . 14.2 m -67.52 -30.13 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 C-N-CA 120.804 -0.359 . . . . 0.0 110.266 178.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -67.83 -49.84 59.99 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.323 178.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 434' ' ' ARG . . . . . 0.458 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 41.2 ptt180 -63.85 -23.04 67.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.812 -177.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 435' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 431' ' ' GLU . 84.2 mt -79.58 -55.15 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 121.215 -0.194 . . . . 0.0 111.099 175.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . . . . . . . . . 4.4 pp -64.05 -34.15 77.37 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.247 -177.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 0.558 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 91.2 m -76.21 -46.25 29.17 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 111.595 0.22 . . . . 0.0 111.595 179.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -64.44 -34.92 79.32 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.754 -177.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.442 HD23 ' HB ' ' A' ' 398' ' ' ILE . 31.3 tp -69.16 -52.04 32.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.818 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 440' ' ' LYS . . . . . 0.566 ' HB3' HG13 ' A' ' 398' ' ' ILE . 64.9 pttt -61.03 -35.88 78.06 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 120.822 0.344 . . . . 0.0 110.728 -177.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 39.9 mmt180 -71.39 -53.34 14.41 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.955 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -74.5 -8.0 54.87 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.073 0.398 . . . . 0.0 112.073 -177.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 35.3 tp -96.32 -43.98 7.44 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.275 179.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . 0.562 ' HD2' ' OE1' ' A' ' 445' ' ' GLU . 9.7 ttm180 -94.43 -48.65 6.04 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.282 -0.567 . . . . 0.0 111.239 -178.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . 0.562 ' OE1' ' HD2' ' A' ' 444' ' ' ARG . 3.7 mm-40 -80.03 -35.07 37.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.263 0.554 . . . . 0.0 109.703 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.095 0 CA-C-N 114.196 -1.365 . . . . 0.0 111.309 179.368 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.868 0 N-CA-C 112.201 -0.36 . . . . 0.0 112.201 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 11.9 p -131.67 5.61 4.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.091 0.472 . . . . 0.0 110.985 -179.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -95.24 51.16 1.3 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.984 -174.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.42 ' O ' HD13 ' A' ' 443' ' ' LEU . 1.3 m -70.39 96.15 1.11 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.817 -178.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . 0.462 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 3.2 mm-40 -62.4 -37.64 86.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.264 0.554 . . . . 0.0 109.521 175.037 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -65.43 -12.87 56.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.71 175.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.95 -62.3 5.84 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 111.236 -0.745 . . . . 0.0 111.236 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.521 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -69.13 -34.67 64.66 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.67 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.37 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.605 ' O ' ' HG3' ' A' ' 403' ' ' ARG . 33.6 mmtp -58.0 -54.41 47.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.579 0.228 . . . . 0.0 111.236 -177.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -69.56 -42.28 74.78 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 120.809 0.338 . . . . 0.0 111.087 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' GLU . . . . . 0.546 ' HB3' HE21 ' A' ' 405' ' ' GLN . 33.8 mt-10 -62.52 -46.05 90.21 Favored 'General case' 0 C--O 1.219 -0.548 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.785 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 402' ' ' ILE . . . . . 0.455 HG22 ' O ' ' A' ' 399' ' ' LYS . 12.1 tt -64.17 -29.77 48.24 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.301 0 C-N-CA 121.346 -0.142 . . . . 0.0 110.838 -176.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.605 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 76.3 mtp180 -59.02 -48.25 82.28 Favored 'General case' 0 CA--C 1.518 -0.272 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 174.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . 0.555 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 75.8 mtp180 -76.95 -38.45 53.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.913 -179.262 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 405' ' ' GLN . . . . . 0.546 HE21 ' HB3' ' A' ' 401' ' ' GLU . 73.3 mt-30 -64.86 -49.61 69.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.829 -0.169 . . . . 0.0 111.069 179.201 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -65.4 -28.75 69.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.874 0.369 . . . . 0.0 110.313 177.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.584 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.7 t80 -61.41 -58.62 7.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.527 176.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 404' ' ' ARG . 2.7 pp -72.06 -30.73 65.44 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.244 -178.086 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 409' ' ' LEU . . . . . 0.641 HD12 HG23 ' A' ' 432' ' ' VAL . 6.6 tt -60.22 -47.44 85.96 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 176.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 410' ' ' ASN . . . . . 0.434 ' O ' ' HG3' ' A' ' 414' ' ' ARG . 6.6 t30 -57.91 -46.82 84.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.244 177.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 18.6 m -60.82 -56.84 16.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.43 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.716 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 4.7 pp -66.24 -23.49 66.42 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.092 0.472 . . . . 0.0 110.656 -178.483 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . 0.468 ' HD2' HD12 ' A' ' 416' ' ' LEU . 15.8 t-160 -65.62 -32.35 73.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.738 174.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 414' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 410' ' ' ASN . 43.7 mtp180 -83.77 -17.58 40.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 178.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 415' ' ' ASP . . . . . 0.448 ' OD2' ' HA ' ' A' ' 412' ' ' LEU . 39.8 m-20 -73.96 -3.56 29.88 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.047 174.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.468 HD12 ' HD2' ' A' ' 413' ' ' HIS . 94.0 mt -82.95 1.32 40.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.59 -178.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -153.63 178.99 9.24 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.82 0.343 . . . . 0.0 111.123 -179.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 92.47 34.76 6.85 Favored Glycine 0 N--CA 1.445 -0.739 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 -176.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 88.62 22.87 38.25 Favored Glycine 0 N--CA 1.449 -0.448 0 N-CA-C 111.699 -0.56 . . . . 0.0 111.699 -176.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 38.7 mt -129.93 133.63 64.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.719 0.295 . . . . 0.0 110.658 -177.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -123.5 84.24 2.24 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 170.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . 0.596 ' CG ' ' HD3' ' A' ' 425' ' ' LYS . 9.9 t0 -106.56 126.03 51.75 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.192 -173.333 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 36.4 mt -92.22 -19.86 21.77 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.097 0.475 . . . . 0.0 110.584 -176.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 37.4 t -72.4 -39.28 68.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.116 -177.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . 0.716 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 11.9 mptt -62.35 -33.13 74.12 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.836 177.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 426' ' ' GLU . . . . . 0.526 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 47.5 mt-10 -65.95 -48.78 70.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.178 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -67.3 -25.42 66.02 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.3 176.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -77.25 -44.9 28.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.63 -175.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.686 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.0 pp -62.69 -38.59 90.97 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -75.84 -29.59 58.65 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.31 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.61 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 43.2 tt0 -63.08 -56.87 13.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.161 177.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.641 HG23 HD12 ' A' ' 409' ' ' LEU . 20.8 m -68.2 -31.18 50.56 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.831 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -61.84 -46.22 90.39 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 120.888 0.375 . . . . 0.0 110.027 178.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 434' ' ' ARG . . . . . 0.61 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 17.4 ptt180 -68.66 -25.97 65.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.407 -178.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 435' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 431' ' ' GLU . 85.0 mt -74.28 -58.3 5.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.469 176.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . 0.49 HD12 ' N ' ' A' ' 437' ' ' THR . 4.3 pp -60.37 -34.95 74.61 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 121.216 -0.193 . . . . 0.0 111.174 -178.303 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 0.802 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 90.8 m -69.26 -49.22 58.12 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.668 -0.242 . . . . 0.0 110.84 178.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . 0.588 ' O ' ' HG2' ' A' ' 442' ' ' LYS . . . -63.4 -43.4 97.65 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.391 179.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 23.3 tp -60.63 -51.84 67.67 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.429 -176.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 440' ' ' LYS . . . . . 0.802 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 62.6 pttt -62.02 -32.06 72.51 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.224 0.535 . . . . 0.0 110.726 -178.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 441' ' ' ARG . . . . . 0.587 ' HG3' ' O ' ' A' ' 437' ' ' THR . 36.4 mtm180 -74.57 -46.28 39.83 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.35 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . 0.588 ' HG2' ' O ' ' A' ' 438' ' ' ALA . 30.9 mmmt -69.23 -22.83 63.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 111.432 -178.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.42 HD13 ' O ' ' A' ' 394' ' ' THR . 89.2 mt -91.59 -22.29 20.39 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -177.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . 0.522 ' NE ' ' HA ' ' A' ' 444' ' ' ARG . 6.6 tpm_? -111.62 -52.92 2.75 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.352 -0.539 . . . . 0.0 111.444 178.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -79.56 -35.85 39.17 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-N 114.495 -1.229 . . . . 0.0 111.277 -178.925 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.609 0 N-CA-C 112.061 -0.416 . . . . 0.0 112.061 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.99 -64.13 0.51 Allowed 'General case' 0 C--N 1.322 -0.591 0 O-C-N 122.75 -0.265 . . . . 0.0 111.531 179.052 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -90.0 128.52 36.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.798 0.333 . . . . 0.0 111.437 -175.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 2.1 p -119.02 82.54 1.88 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.413 0.625 . . . . 0.0 110.825 171.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -67.09 -39.95 86.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.104 179.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -69.45 -19.89 63.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.252 175.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.32 -60.39 6.77 Favored Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.628 178.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.496 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -66.13 -33.89 66.58 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.856 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 178.413 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.553 ' O ' ' HG3' ' A' ' 403' ' ' ARG . 3.5 mptp? -59.99 -44.44 94.5 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -178.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 403' ' ' ARG . 33.2 tt0 -71.25 -49.18 45.84 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.071 0.463 . . . . 0.0 110.431 177.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -62.84 -39.1 93.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.301 -177.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 402' ' ' ILE . . . . . 0.496 HD12 HD11 ' A' ' 398' ' ' ILE . 12.3 tt -70.69 -29.91 40.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 -179.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.581 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 97.8 mtt180 -56.1 -50.22 71.67 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 173.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . 0.502 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 38.3 mtp180 -74.37 -40.89 61.82 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.225 -178.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 405' ' ' GLN . . . . . 0.42 ' O ' ' HB2' ' A' ' 409' ' ' LEU . 44.7 mt-30 -61.87 -45.83 92.08 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 116.742 -0.208 . . . . 0.0 111.298 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . 0.446 ' HG3' HG12 ' A' ' 402' ' ' ILE . 43.9 mt-10 -75.31 -20.1 59.27 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.65 178.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.581 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.8 t80 -71.67 -49.89 35.59 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 176.195 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.686 HD11 HG11 ' A' ' 432' ' ' VAL . 3.5 pp -71.84 -29.92 64.92 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 120.774 -0.371 . . . . 0.0 110.199 176.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 409' ' ' LEU . . . . . 0.471 ' N ' HD12 ' A' ' 408' ' ' LEU . 27.6 tp -59.76 -44.34 93.89 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 174.151 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -59.14 -54.24 49.19 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.804 176.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . 0.463 ' OG ' ' HA ' ' A' ' 408' ' ' LEU . 12.1 p -64.81 -48.72 73.39 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.811 -175.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.975 HD11 ' HB3' ' A' ' 429' ' ' LEU . 3.9 pp -64.66 -27.8 69.18 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 121.066 -0.254 . . . . 0.0 111.285 -178.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 3.6 m170 -66.52 -35.97 81.55 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.011 0.434 . . . . 0.0 110.431 174.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -75.21 -19.99 59.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.842 178.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 415' ' ' ASP . . . . . 0.489 ' HB2' ' HD3' ' A' ' 425' ' ' LYS . 64.3 m-20 -82.46 -0.86 48.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.555 176.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 412' ' ' LEU . 39.5 mt -110.71 23.78 13.78 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.977 0.417 . . . . 0.0 110.398 -178.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . 0.482 ' HA ' ' OE1' ' A' ' 417' ' ' GLN . 12.8 mm-40 -87.28 171.97 10.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.816 -179.209 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -56.9 113.57 4.48 Favored Glycine 0 C--N 1.335 0.508 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.666 -178.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 116.55 -16.5 14.3 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 -178.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -117.38 114.58 46.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -108.76 113.48 26.47 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.166 0.508 . . . . 0.0 110.767 -178.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -150.78 134.52 16.55 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.937 178.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 96.8 mt -108.12 -12.02 15.18 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.008 0.433 . . . . 0.0 110.667 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 12.8 t -70.16 -42.27 72.71 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.575 -177.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . 0.58 ' HA ' ' HB2' ' A' ' 428' ' ' ARG . 50.8 mttm -69.53 -24.02 63.67 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.389 179.288 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 426' ' ' GLU . . . . . 0.529 ' HA ' ' CD2' ' A' ' 429' ' ' LEU . 34.4 tt0 -70.36 -41.95 72.46 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 177.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -66.4 -31.8 72.78 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.972 172.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 428' ' ' ARG . . . . . 0.58 ' HB2' ' HA ' ' A' ' 425' ' ' LYS . 30.5 mmt180 -72.48 -43.29 63.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.409 -179.073 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.975 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.5 pp -64.97 -32.5 74.25 Favored 'General case' 0 CA--C 1.513 -0.475 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.284 -178.107 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 430' ' ' TRP . . . . . 0.407 ' N ' HD12 ' A' ' 429' ' ' LEU . 1.9 t90 -78.99 -29.89 44.06 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.249 177.158 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.559 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 40.1 tt0 -63.8 -59.7 4.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.172 178.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.686 HG11 HD11 ' A' ' 408' ' ' LEU . 24.0 m -65.29 -30.27 49.76 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.844 -179.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . 0.497 ' HB2' ' O ' ' A' ' 429' ' ' LEU . 7.9 tt0 -61.48 -51.76 67.33 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-O 121.18 0.514 . . . . 0.0 109.954 177.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 434' ' ' ARG . . . . . 0.559 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 38.5 ptt180 -69.44 -23.05 63.63 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.461 -177.146 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 435' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 431' ' ' GLU . 75.9 mt -79.15 -57.47 5.21 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.304 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.915 178.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . 0.45 HD12 ' N ' ' A' ' 437' ' ' THR . 4.6 pp -57.71 -33.77 68.75 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.745 0.307 . . . . 0.0 110.811 -179.156 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 0.45 ' N ' HD12 ' A' ' 436' ' ' LEU . 88.1 m -67.32 -60.12 2.85 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.776 177.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -64.16 -34.5 78.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.758 0.313 . . . . 0.0 111.074 -176.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.477 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 21.9 tp -61.12 -56.78 16.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.995 -178.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 440' ' ' LYS . . . . . 0.464 ' HB3' HG13 ' A' ' 398' ' ' ILE . 18.8 pttp -64.54 -27.77 69.19 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.979 0.419 . . . . 0.0 110.88 -177.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 441' ' ' ARG . . . . . 0.445 ' CZ ' ' HG3' ' A' ' 445' ' ' GLU . 29.1 mmm180 -71.99 -52.34 17.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.978 179.04 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -74.96 -8.43 56.47 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 111.733 0.271 . . . . 0.0 111.733 -178.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 78.7 mt -98.67 -25.02 14.84 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.796 179.171 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -112.62 -37.99 4.74 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.406 -0.518 . . . . 0.0 111.641 -177.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . 0.445 ' HG3' ' CZ ' ' A' ' 441' ' ' ARG . 3.0 mm-40 -96.11 -7.65 35.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.983 0.42 . . . . 0.0 110.872 -171.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.937 0 CA-C-O 118.696 -0.669 . . . . 0.0 110.928 -178.395 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.713 0 N-CA-C 111.776 -0.53 . . . . 0.0 111.776 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 23.3 t -120.05 -24.59 5.99 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.136 0.493 . . . . 0.0 110.378 -177.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -110.17 -2.65 16.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.626 -179.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 3.1 m -65.19 106.14 1.25 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.309 -175.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -66.67 -31.78 72.68 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 175.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . 0.632 ' HA ' ' HB2' ' A' ' 399' ' ' LYS . . . -72.26 -4.68 31.02 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.91 176.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.93 -62.69 5.0 Favored Glycine 0 N--CA 1.443 -0.897 0 N-CA-C 110.794 -0.923 . . . . 0.0 110.794 177.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.607 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -68.02 -32.85 57.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.475 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 175.461 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.807 ' HA ' ' HE2' ' A' ' 399' ' ' LYS . 0.0 OUTLIER -54.18 -45.71 72.18 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.446 -179.225 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -75.03 -46.7 33.16 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.077 0.465 . . . . 0.0 111.096 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -64.69 -33.04 75.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.087 -178.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 402' ' ' ILE . . . . . 0.607 HD12 HD11 ' A' ' 398' ' ' ILE . 12.3 tt -73.22 -27.97 25.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 178.527 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.62 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 97.3 mtt180 -53.75 -52.46 60.11 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 170.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . 0.481 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 38.2 mmt180 -67.25 -49.11 65.65 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.762 -1.108 . . . . 0.0 111.047 -179.086 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 405' ' ' GLN . . . . . 0.492 ' O ' ' HB2' ' A' ' 409' ' ' LEU . 22.1 mt-30 -63.34 -37.68 88.19 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -175.125 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . 0.497 ' HA ' ' HB3' ' A' ' 409' ' ' LEU . 43.2 mt-10 -81.77 -23.42 36.63 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.673 177.667 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.56 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 4.3 t80 -63.38 -54.08 42.35 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 176.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.62 HD11 HG11 ' A' ' 432' ' ' VAL . 3.1 pp -72.51 -25.65 61.48 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.862 177.208 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 409' ' ' LEU . . . . . 0.497 ' HB3' ' HA ' ' A' ' 406' ' ' GLU . 35.2 tp -61.4 -45.44 94.35 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 175.117 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -61.8 -43.47 98.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.089 174.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . 0.432 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 30.7 m -63.37 -47.99 79.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.832 -177.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.874 ' HB2' ' HB3' ' A' ' 425' ' ' LYS . 3.8 pp -72.46 -23.66 61.09 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.539 -179.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . 0.505 ' N ' HD12 ' A' ' 412' ' ' LEU . 9.1 m170 -71.91 -44.7 63.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.943 0.401 . . . . 0.0 111.039 175.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 414' ' ' ARG . . . . . 0.432 ' HG2' ' O ' ' A' ' 411' ' ' SER . 25.5 ptt180 -72.31 -16.29 61.9 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.875 177.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -80.53 -26.05 38.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.703 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.789 HD21 ' HB2' ' A' ' 425' ' ' LYS . 38.2 mt -80.82 -28.81 36.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.286 0.565 . . . . 0.0 110.53 176.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -84.86 145.84 27.62 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.306 -176.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 107.56 16.66 12.53 Favored Glycine 0 N--CA 1.447 -0.596 0 N-CA-C 110.774 -0.931 . . . . 0.0 110.774 -174.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 78.92 24.39 62.05 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 121.163 -0.541 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 29.4 mm -89.85 133.11 32.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.731 0.301 . . . . 0.0 110.545 -177.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -103.07 94.87 5.77 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.126 177.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . 0.644 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 8.9 t70 -133.88 119.75 19.54 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 85.6 mt -97.02 -11.39 24.56 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.01 0.433 . . . . 0.0 111.01 -176.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . 0.452 ' O ' ' HB2' ' A' ' 428' ' ' ARG . 36.5 t -73.24 -38.66 65.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.092 -0.503 . . . . 0.0 109.845 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . 0.874 ' HB3' ' HB2' ' A' ' 412' ' ' LEU . 12.7 mmtp -69.5 -28.5 66.11 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.511 178.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 426' ' ' GLU . . . . . 0.695 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 32.7 tt0 -69.01 -51.56 37.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.137 -177.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -67.44 -26.06 66.21 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.093 178.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 428' ' ' ARG . . . . . 0.452 ' HB2' ' O ' ' A' ' 424' ' ' SER . 10.4 ttm180 -77.23 -39.23 49.2 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.785 -177.381 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.706 ' HB3' ' CD1' ' A' ' 412' ' ' LEU . 4.5 pp -65.07 -37.71 88.42 Favored 'General case' 0 CA--C 1.511 -0.549 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.102 179.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 430' ' ' TRP . . . . . 0.428 ' N ' HD12 ' A' ' 429' ' ' LEU . 1.8 t90 -74.45 -29.34 61.44 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.034 178.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.634 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 41.0 tt0 -61.29 -56.65 18.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.038 177.204 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.62 HG11 HD11 ' A' ' 408' ' ' LEU . 24.0 m -71.17 -32.45 47.64 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.227 -179.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -62.12 -48.11 81.59 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 120.852 0.358 . . . . 0.0 110.039 179.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 434' ' ' ARG . . . . . 0.634 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 13.7 ptm180 -64.3 -34.03 77.2 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.248 -177.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 435' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 431' ' ' GLU . 78.9 mt -72.09 -53.49 19.74 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.978 179.206 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . 0.409 HD12 ' N ' ' A' ' 437' ' ' THR . 4.6 pp -59.93 -34.44 73.22 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.724 -178.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 0.409 ' N ' HD12 ' A' ' 436' ' ' LEU . 63.0 m -71.09 -58.63 3.38 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.57 179.251 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -58.22 -41.7 84.65 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 120.844 0.354 . . . . 0.0 110.913 -175.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.448 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 37.5 tp -63.08 -55.98 20.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.099 -177.362 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 440' ' ' LYS . . . . . 0.507 ' HB3' HG13 ' A' ' 398' ' ' ILE . 18.4 pttp -66.16 -28.96 69.18 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.81 0.338 . . . . 0.0 111.33 -174.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -75.32 -43.28 51.67 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.617 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -17.36 61.7 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 121.152 -0.219 . . . . 0.0 111.539 179.413 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 78.9 mt -91.55 -39.37 11.95 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.921 -0.312 . . . . 0.0 111.534 177.032 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . 0.546 ' HD2' ' OE2' ' A' ' 445' ' ' GLU . 3.4 tmt_? -93.84 -38.91 11.0 Favored 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 -172.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . 0.546 ' OE2' ' HD2' ' A' ' 444' ' ' ARG . 44.6 mm-40 -85.41 12.2 8.83 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.63 0.252 . . . . 0.0 110.974 -176.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.943 -177.472 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.671 0 N-CA-C 112.074 -0.41 . . . . 0.0 112.074 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 4.7 p -117.78 78.1 1.21 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.212 0.53 . . . . 0.0 110.878 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . 0.426 ' HA ' HD22 ' A' ' 443' ' ' LEU . 1.4 mp0 -58.96 102.76 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.742 178.272 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 2.7 m -116.43 108.53 16.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.146 -179.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . 0.432 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 15.0 mm100 -70.36 -36.42 74.16 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 178.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -65.13 -19.02 65.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.849 173.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . 0.435 ' O ' ' HG2' ' A' ' 401' ' ' GLU . . . -62.96 -58.18 12.96 Favored Glycine 0 N--CA 1.444 -0.826 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.49 177.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.403 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -66.7 -29.63 47.06 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.59 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -178.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.561 ' O ' HG22 ' A' ' 402' ' ' ILE . 20.9 mmtp -63.79 -47.93 78.96 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.56 177.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -68.74 -42.59 77.38 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 121.036 0.446 . . . . 0.0 110.476 177.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 397' ' ' GLY . 7.8 mm-40 -59.1 -52.05 67.4 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.606 177.293 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 402' ' ' ILE . . . . . 0.776 HG13 HD13 ' A' ' 436' ' ' LEU . 10.5 tt -59.16 -30.3 43.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.619 -175.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.604 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 80.0 mtp180 -61.03 -57.28 13.28 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.691 -0.403 . . . . 0.0 110.299 175.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . 0.455 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 23.8 ptt180 -77.84 -22.17 50.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.865 -176.476 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 405' ' ' GLN . . . . . 0.514 ' CB ' HD11 ' A' ' 436' ' ' LEU . 16.1 mm100 -84.41 -44.7 13.46 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.408 0.151 . . . . 0.0 111.408 -179.448 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . 0.434 ' CG ' HG12 ' A' ' 402' ' ' ILE . 25.0 mm-40 -65.0 -25.94 68.07 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 172.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.604 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 0.9 OUTLIER -59.45 -58.43 8.65 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.73 -1.123 . . . . 0.0 109.959 176.687 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.5 ' HA ' ' OG ' ' A' ' 411' ' ' SER . 2.0 pp -75.2 -25.41 58.18 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.319 -178.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 409' ' ' LEU . . . . . 0.524 ' O ' ' HB2' ' A' ' 413' ' ' HIS . 6.1 tt -60.18 -46.23 90.4 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 173.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -62.59 -49.0 76.96 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.014 178.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . 0.5 ' OG ' ' HA ' ' A' ' 408' ' ' LEU . 30.0 p -63.74 -45.87 87.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.521 0.2 . . . . 0.0 111.374 -177.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.726 ' HB2' ' HD2' ' A' ' 425' ' ' LYS . 2.6 pp -69.49 -26.98 64.82 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.237 -0.585 . . . . 0.0 110.074 177.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . 0.524 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 8.5 t-160 -71.15 -39.98 71.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.89 0.376 . . . . 0.0 110.535 176.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 414' ' ' ARG . . . . . 0.627 ' HA ' HE21 ' A' ' 417' ' ' GLN . 11.6 ptm180 -77.48 -9.14 58.73 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.918 0.389 . . . . 0.0 110.144 178.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 415' ' ' ASP . . . . . 0.407 ' HB3' ' O ' ' A' ' 412' ' ' LEU . 30.6 t70 -66.84 -22.11 66.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.876 172.423 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.896 HD21 ' HB2' ' A' ' 425' ' ' LYS . 31.7 mt -78.83 -32.79 46.3 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.667 176.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . 0.627 HE21 ' HA ' ' A' ' 414' ' ' ARG . 49.6 mt-30 -79.17 131.59 36.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.215 -173.338 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 122.13 1.11 10.48 Favored Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.373 -174.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 87.19 35.94 9.29 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 121.075 -0.583 . . . . 0.0 111.658 -178.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 31.0 mm -95.46 131.2 42.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.841 0.353 . . . . 0.0 110.522 -175.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -91.39 74.55 6.07 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.928 0.394 . . . . 0.0 110.269 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . 0.461 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 9.9 t0 -123.99 112.75 17.56 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 176.201 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 7.4 mp -95.25 -16.68 22.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.286 0.565 . . . . 0.0 110.134 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 35.3 m -64.34 -39.68 94.37 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.125 -179.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . 0.896 ' HB2' HD21 ' A' ' 416' ' ' LEU . 36.4 mmtm -61.97 -32.44 72.89 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.124 178.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 426' ' ' GLU . . . . . 0.462 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 41.2 mt-10 -66.03 -43.93 86.16 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.404 0.621 . . . . 0.0 109.653 -179.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -68.89 -32.52 72.22 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.953 176.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 428' ' ' ARG . . . . . 0.477 ' O ' HG12 ' A' ' 432' ' ' VAL . 32.6 mmt180 -74.19 -45.76 46.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.365 -177.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.644 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.2 pp -61.38 -33.58 73.9 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 178.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -76.1 -34.71 59.52 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 120.064 -0.655 . . . . 0.0 110.447 178.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.501 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 37.2 tt0 -59.57 -57.34 13.4 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.535 177.134 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.477 HG12 ' O ' ' A' ' 428' ' ' ARG . 4.1 p -63.15 -35.35 71.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.671 -179.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -65.0 -48.53 73.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.308 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 434' ' ' ARG . . . . . 0.501 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 15.4 ptm180 -67.61 -30.43 70.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.956 -175.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 435' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 431' ' ' GLU . 88.4 mt -69.25 -53.48 25.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 177.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . 0.776 HD13 HG13 ' A' ' 402' ' ' ILE . 96.6 mt -57.56 -42.82 83.79 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.344 178.191 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 1.069 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 78.6 m -62.85 -57.97 9.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.909 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -58.74 -43.97 90.36 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 120.595 0.236 . . . . 0.0 111.152 -176.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.601 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 53.9 tp -56.4 -61.38 2.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.381 -176.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 440' ' ' LYS . . . . . 1.069 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 46.9 pttt -58.68 -31.62 68.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.026 0.441 . . . . 0.0 111.322 -176.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 441' ' ' ARG . . . . . 0.562 ' HG2' ' O ' ' A' ' 437' ' ' THR . 24.2 mmt180 -70.44 -54.1 13.73 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.789 -179.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . 0.451 ' HE3' ' HA ' ' A' ' 439' ' ' LEU . 11.7 pttp -77.69 4.25 11.99 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.908 0.385 . . . . 0.0 111.301 -177.624 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 65.3 mt -89.23 -49.54 6.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.627 170.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . 0.441 HH11 ' HD3' ' A' ' 444' ' ' ARG . 27.6 ttt180 -99.84 -33.21 10.64 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -173.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -91.65 11.9 22.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.956 0.408 . . . . 0.0 110.782 -175.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.413 -0.803 . . . . 0.0 110.256 178.598 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.773 0 N-CA-C 111.78 -0.528 . . . . 0.0 111.78 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 14.7 p -100.65 -166.11 1.28 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.823 0.312 . . . . 0.0 110.835 -179.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 69.15 9.06 7.19 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.252 0.621 . . . . 0.0 110.882 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.41 ' O ' HD21 ' A' ' 443' ' ' LEU . 12.5 p -91.05 66.4 5.78 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.736 177.18 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . 0.438 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 20.0 tp60 -61.99 -37.67 85.7 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.244 0.545 . . . . 0.0 109.55 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . 0.442 ' HA ' ' HB2' ' A' ' 399' ' ' LYS . . . -67.76 -11.56 58.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.824 175.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.76 -59.53 9.57 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 177.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.558 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -68.45 -29.53 44.42 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.882 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.442 ' HB2' ' HA ' ' A' ' 396' ' ' ALA . 33.6 mmtp -58.31 -48.67 79.76 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.352 -0.539 . . . . 0.0 111.09 178.19 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -69.57 -48.11 61.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.084 0.469 . . . . 0.0 110.603 177.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -62.81 -38.9 92.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.668 -177.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 402' ' ' ILE . . . . . 0.558 HD12 HD11 ' A' ' 398' ' ' ILE . 10.4 tt -68.35 -36.01 73.23 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.487 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 -179.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.681 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 86.9 mtt180 -59.6 -47.53 85.2 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.956 178.177 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -77.25 -25.72 51.81 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.484 -176.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 405' ' ' GLN . . . . . 0.544 ' O ' ' HB2' ' A' ' 409' ' ' LEU . 44.0 mt-30 -85.24 -38.35 19.01 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.159 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -67.74 -22.24 65.24 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 170.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.681 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 25.9 t80 -68.12 -57.08 6.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.197 -0.91 . . . . 0.0 111.17 -178.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.635 HD21 HG11 ' A' ' 432' ' ' VAL . 1.9 pt? -76.65 -23.2 53.28 Favored 'General case' 0 C--O 1.22 -0.484 0 C-N-CA 119.82 -0.752 . . . . 0.0 109.686 -178.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 409' ' ' LEU . . . . . 0.544 ' HB2' ' O ' ' A' ' 405' ' ' GLN . 4.4 tt -63.68 -42.91 97.97 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 173.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 410' ' ' ASN . . . . . 0.467 ' HB3' ' O ' ' A' ' 407' ' ' PHE . 4.2 t-20 -57.29 -48.58 78.56 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.065 172.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 20.1 t -63.09 -48.6 77.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.696 -178.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.972 ' HB2' ' HB3' ' A' ' 425' ' ' LYS . 4.5 pp -68.59 -24.72 64.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.165 -0.334 . . . . 0.0 111.49 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . 0.422 ' N ' HD12 ' A' ' 412' ' ' LEU . 0.3 OUTLIER -67.21 -44.09 80.44 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 176.338 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -71.77 -16.42 62.19 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.013 0.435 . . . . 0.0 110.518 175.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -80.24 -17.24 52.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.557 175.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.678 HD21 ' HB2' ' A' ' 425' ' ' LYS . 95.1 mt -87.02 1.59 52.35 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.321 179.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -120.51 156.06 32.31 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 122.327 -0.233 . . . . 0.0 110.411 -177.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 104.58 26.42 6.49 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 111.828 177.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 72.3 35.56 60.2 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.544 -176.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 49.9 mm -96.31 119.77 44.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.867 0.365 . . . . 0.0 110.559 -176.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 8.2 tptp -90.87 65.04 5.65 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.345 0.593 . . . . 0.0 109.639 178.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . 0.478 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 10.0 t70 -117.25 123.2 46.02 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.791 -178.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 86.5 mt -108.41 -6.39 16.23 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.507 0.67 . . . . 0.0 109.336 178.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 43.5 t -67.25 -47.17 71.52 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.883 -1.053 . . . . 0.0 110.345 -177.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . 0.972 ' HB3' ' HB2' ' A' ' 412' ' ' LEU . 30.3 mmtm -64.87 -23.84 67.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.927 0.394 . . . . 0.0 110.358 -178.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 426' ' ' GLU . . . . . 0.64 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 32.7 tt0 -71.39 -47.63 54.91 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.745 -177.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -64.74 -35.4 80.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.404 0.621 . . . . 0.0 109.579 176.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -73.36 -37.32 66.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.749 -175.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.867 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.5 pp -65.99 -35.0 79.38 Favored 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 177.203 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -71.77 -31.97 67.18 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.353 179.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.559 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 10.6 tp10 -66.56 -50.19 63.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.231 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.635 HG11 HD21 ' A' ' 408' ' ' LEU . 19.2 m -69.31 -31.92 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.571 178.334 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -63.74 -50.89 67.32 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.001 0.429 . . . . 0.0 110.043 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 434' ' ' ARG . . . . . 0.559 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 3.6 ptm180 -61.69 -34.17 75.29 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.39 -177.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 435' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 431' ' ' GLU . 82.5 mt -69.76 -58.65 4.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.692 -0.231 . . . . 0.0 111.475 178.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . 0.47 HD12 ' N ' ' A' ' 437' ' ' THR . 4.6 pp -60.98 -30.64 70.39 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.701 0.286 . . . . 0.0 111.255 -177.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 0.507 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 63.7 m -74.94 -54.5 7.11 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.101 178.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -63.44 -31.8 73.07 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.878 -0.329 . . . . 0.0 110.761 -176.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 45.3 tp -66.81 -59.39 3.58 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.863 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 440' ' ' LYS . . . . . 0.531 ' HB3' HG13 ' A' ' 398' ' ' ILE . 61.3 pttt -59.99 -33.54 72.11 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.784 0.326 . . . . 0.0 111.36 -175.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 441' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 441' ' ' ARG . 10.3 mmm180 -64.87 -64.64 0.82 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.434 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . 0.535 ' HD2' ' N ' ' A' ' 442' ' ' LYS . 3.2 mptp? -75.87 -5.91 48.28 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.551 -173.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.41 HD21 ' O ' ' A' ' 394' ' ' THR . 50.0 tp -83.58 -29.44 27.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.144 0.497 . . . . 0.0 109.679 172.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 15.7 mtp180 -95.75 -34.42 11.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.51 179.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 441' ' ' ARG . 45.9 mt-10 -80.83 0.44 34.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.394 -175.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.842 0 CA-C-O 118.446 -0.787 . . . . 0.0 110.559 179.064 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.795 0 N-CA-C 112.385 -0.286 . . . . 0.0 112.385 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 49.2 m 54.12 41.32 32.06 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.193 0.521 . . . . 0.0 111.496 178.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -116.88 131.7 56.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.547 -176.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 6.8 m -141.09 105.49 4.85 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.662 178.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -63.35 -28.97 70.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.095 0.474 . . . . 0.0 110.041 174.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . 0.551 ' HA ' ' HB3' ' A' ' 399' ' ' LYS . . . -70.05 -5.33 25.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.559 173.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -66.82 -64.98 2.99 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 177.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.567 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -64.56 -30.48 50.32 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 176.712 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.63 ' O ' ' HG3' ' A' ' 403' ' ' ARG . 15.5 tppt? -56.2 -54.06 49.77 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.66 177.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -68.04 -46.07 72.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.261 0.553 . . . . 0.0 110.369 -178.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -60.81 -44.27 97.08 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.978 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 402' ' ' ILE . . . . . 0.567 HD12 HD11 ' A' ' 398' ' ' ILE . 10.3 tt -65.59 -28.88 45.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 O-C-N 122.971 0.169 . . . . 0.0 111.062 -177.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.63 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 61.2 mtp180 -60.41 -51.96 67.27 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 175.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . 0.4 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 15.6 mmm180 -69.86 -40.08 75.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.815 179.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 405' ' ' GLN . . . . . 0.555 ' NE2' ' HB3' ' A' ' 436' ' ' LEU . 25.8 mt-30 -68.72 -49.99 54.35 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.447 -176.025 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . 0.457 ' HG2' HG12 ' A' ' 402' ' ' ILE . 11.1 mm-40 -63.25 -30.99 72.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.968 0.414 . . . . 0.0 109.916 176.016 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.588 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 1.4 t80 -62.27 -52.65 62.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.085 177.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.59 HD12 ' N ' ' A' ' 409' ' ' LEU . 3.5 pp -73.82 -33.8 64.32 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.37 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 409' ' ' LEU . . . . . 0.691 ' O ' ' HB2' ' A' ' 413' ' ' HIS . 4.1 tt -59.53 -46.44 88.85 Favored 'General case' 0 C--O 1.225 -0.233 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 176.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.6 -48.98 79.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.557 177.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . 0.518 ' OG ' ' HA ' ' A' ' 408' ' ' LEU . 9.7 p -67.07 -43.05 83.64 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -176.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.736 HD11 ' HB3' ' A' ' 429' ' ' LEU . 4.4 pp -72.8 -23.51 60.8 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 120.226 -0.59 . . . . 0.0 110.388 176.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . 0.691 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 3.2 t-160 -67.66 -30.63 70.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.389 0.614 . . . . 0.0 109.617 173.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -85.62 -14.87 44.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.377 175.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 415' ' ' ASP . . . . . 0.603 ' HB2' ' HA ' ' A' ' 412' ' ' LEU . 5.1 t70 -73.72 -19.91 60.67 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.111 178.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.755 HD21 ' HB2' ' A' ' 425' ' ' LYS . 48.9 mt -85.0 -5.17 59.36 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.791 178.095 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -116.58 169.44 9.34 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.782 -174.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 88.98 15.36 59.41 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.548 -175.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 87.0 34.14 11.27 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.151 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 43.7 mm -110.5 135.33 49.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.557 0.218 . . . . 0.0 110.567 -177.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -115.76 83.72 1.98 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.95 0.405 . . . . 0.0 111.097 176.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . 0.587 ' OD2' ' HG2' ' A' ' 425' ' ' LYS . 26.2 t70 -119.9 129.06 54.19 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.943 175.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 7.2 mp -93.59 -11.31 32.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.174 0.512 . . . . 0.0 110.128 -178.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 1.6 m -66.44 -51.82 52.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.581 -178.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . 0.755 ' HB2' HD21 ' A' ' 416' ' ' LEU . 69.7 mmtt -63.2 -25.74 68.48 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.207 -179.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 426' ' ' GLU . . . . . 0.553 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 50.6 mt-10 -66.33 -50.4 63.72 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.252 0.548 . . . . 0.0 110.011 179.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -66.37 -29.59 69.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.371 0.605 . . . . 0.0 109.948 176.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 428' ' ' ARG . . . . . 0.626 ' O ' HG12 ' A' ' 432' ' ' VAL . 15.5 mmt180 -75.89 -43.42 45.48 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.323 -176.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.736 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.5 pp -61.57 -32.45 72.54 Favored 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 178.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 430' ' ' TRP . . . . . 0.411 ' N ' HD12 ' A' ' 429' ' ' LEU . 2.9 t90 -77.13 -33.48 56.78 Favored 'General case' 0 N--CA 1.438 -1.045 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.57 178.273 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.439 ' O ' HG13 ' A' ' 435' ' ' ILE . 9.5 tp10 -64.11 -56.49 14.48 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -179.271 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.626 HG12 ' O ' ' A' ' 428' ' ' ARG . 2.6 p -60.57 -34.92 60.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.136 178.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -64.43 -50.99 65.4 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.592 -177.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 434' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 -69.54 -27.76 65.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.104 -175.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 435' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 431' ' ' GLU . 79.5 mt -69.19 -55.22 16.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 121.296 -0.162 . . . . 0.0 111.135 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . 0.555 ' HB3' ' NE2' ' A' ' 405' ' ' GLN . 3.9 pp -61.66 -40.02 93.42 Favored 'General case' 0 C--O 1.225 -0.232 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 62.2 m -63.89 -49.11 73.97 Favored 'General case' 0 N--CA 1.455 -0.188 0 O-C-N 123.316 0.385 . . . . 0.0 111.027 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.13 -51.22 70.02 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.825 0.345 . . . . 0.0 110.408 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 50.0 tp -59.11 -53.97 52.27 Favored 'General case' 0 C--O 1.223 -0.303 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.626 -176.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 440' ' ' LYS . . . . . 0.505 ' HB3' HG13 ' A' ' 398' ' ' ILE . 21.6 ptmt -58.3 -36.56 73.51 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.137 0.494 . . . . 0.0 111.325 -175.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -72.4 -49.99 29.71 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.241 -177.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -77.79 -8.9 58.67 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.828 -0.349 . . . . 0.0 111.378 -178.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 53.1 tp -89.86 -53.56 4.44 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.637 0.256 . . . . 0.0 110.849 177.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -78.79 -40.19 33.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.924 0.393 . . . . 0.0 111.033 -176.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -94.72 35.04 1.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.144 -173.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.427 -0.797 . . . . 0.0 109.919 176.419 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.557 0 N-CA-C 111.999 -0.441 . . . . 0.0 111.999 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 49.5 m -104.83 145.68 30.04 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.77 0.319 . . . . 0.0 110.297 177.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -67.1 90.63 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.947 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.433 ' O ' HD13 ' A' ' 443' ' ' LEU . 3.8 m -88.86 104.74 17.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.729 0.299 . . . . 0.0 111.061 179.332 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -66.78 -32.34 73.56 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 175.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -68.71 -16.78 63.92 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.245 175.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.77 -58.71 11.0 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 178.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.597 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -71.05 -32.63 48.76 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.627 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 177.002 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.885 ' HA ' ' HE2' ' A' ' 399' ' ' LYS . 0.1 OUTLIER -56.59 -50.23 72.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.829 0.347 . . . . 0.0 110.88 -177.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -70.47 -46.25 64.16 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.177 0.513 . . . . 0.0 110.278 -178.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -65.76 -35.24 80.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.943 -177.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 402' ' ' ILE . . . . . 0.597 HD12 HD11 ' A' ' 398' ' ' ILE . 12.6 tt -70.5 -30.09 41.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 -179.422 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.628 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 77.9 mtp180 -60.94 -44.81 96.72 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 173.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . 0.487 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 63.6 mtt85 -68.34 -50.1 55.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.984 178.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 405' ' ' GLN . . . . . 0.556 ' O ' ' HB2' ' A' ' 409' ' ' LEU . 25.5 mt-30 -65.59 -39.59 91.75 Favored 'General case' 0 C--O 1.221 -0.447 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -175.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -77.12 -22.77 52.17 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 119.961 -0.696 . . . . 0.0 110.613 177.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.628 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 4.7 t80 -66.94 -52.91 37.27 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 176.177 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.667 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.9 pp -71.54 -27.04 62.91 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.803 177.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 409' ' ' LEU . . . . . 0.556 ' HB2' ' O ' ' A' ' 405' ' ' GLN . 6.0 tt -61.78 -46.88 87.64 Favored 'General case' 0 C--O 1.223 -0.325 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 174.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -58.1 -41.51 83.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.615 176.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . 0.592 ' O ' ' HG3' ' A' ' 414' ' ' ARG . 25.1 t -63.54 -59.82 4.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.687 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 3.5 pp -65.14 -23.75 67.22 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 122.054 -0.404 . . . . 0.0 111.032 -178.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . 0.5 ' N ' HD12 ' A' ' 412' ' ' LEU . 11.8 t-160 -63.01 -41.15 99.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.776 173.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 414' ' ' ARG . . . . . 0.592 ' HG3' ' O ' ' A' ' 411' ' ' SER . 5.5 ppt_? -81.87 -10.17 59.38 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.848 -177.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 415' ' ' ASP . . . . . 0.609 ' HB2' ' HG2' ' A' ' 425' ' ' LYS . 42.7 m-20 -78.53 -3.32 43.06 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.221 172.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 96.1 mt -90.82 1.77 56.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.184 0.516 . . . . 0.0 110.386 176.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . 0.51 ' OE1' ' HA ' ' A' ' 414' ' ' ARG . 37.9 mt-30 -101.25 153.7 19.4 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.556 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 118.95 -4.07 14.27 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.155 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 85.17 13.93 70.23 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.869 -0.682 . . . . 0.0 111.899 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 26.9 pt -95.66 150.96 4.04 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.851 0 CA-C-O 120.846 0.355 . . . . 0.0 111.338 -178.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -98.51 91.24 5.07 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.545 176.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . 0.631 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 10.0 t70 -106.94 123.01 47.56 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 177.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 7.0 mp -94.0 -27.75 16.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.036 0.446 . . . . 0.0 110.467 -176.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 428' ' ' ARG . 28.0 t -65.67 -50.16 65.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.709 -174.48 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . 0.687 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 10.1 mptt -64.1 -32.1 73.53 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.562 -176.201 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 426' ' ' GLU . . . . . 0.713 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 38.1 tt0 -78.84 -48.5 14.61 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.076 -174.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -63.96 -29.82 70.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.273 176.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 428' ' ' ARG . . . . . 0.538 ' HA ' ' HB3' ' A' ' 431' ' ' GLU . 70.8 mtt180 -85.26 -26.93 26.35 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -177.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.713 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 3.9 pp -63.95 -37.41 87.32 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 119.573 -0.851 . . . . 0.0 108.776 172.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -78.82 -30.27 45.23 Favored 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.2 177.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.538 ' HB3' ' HA ' ' A' ' 428' ' ' ARG . 37.0 tt0 -62.09 -55.54 27.93 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.564 178.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 19.9 m -68.22 -27.65 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.834 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . 0.407 ' HA ' ' HG ' ' A' ' 436' ' ' LEU . 35.7 tt0 -69.41 -44.0 72.28 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.613 179.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 434' ' ' ARG . . . . . 0.515 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 20.3 ptt180 -68.37 -26.76 65.74 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 178.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 435' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 431' ' ' GLU . 81.0 mt -73.21 -54.88 14.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.686 -0.234 . . . . 0.0 110.693 175.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . 0.591 HD12 ' N ' ' A' ' 437' ' ' THR . 4.3 pp -60.53 -33.86 73.26 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.776 0.322 . . . . 0.0 111.222 -178.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 0.68 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 98.1 m -74.06 -51.41 15.86 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.767 179.596 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -58.99 -43.03 91.38 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.837 0.351 . . . . 0.0 110.673 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.474 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 39.7 tp -62.06 -53.13 59.83 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.874 -177.229 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 440' ' ' LYS . . . . . 0.687 ' O ' ' HG2' ' A' ' 444' ' ' ARG . 62.3 pttt -62.44 -34.25 76.42 Favored 'General case' 0 CA--C 1.521 -0.165 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.031 -177.093 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 441' ' ' ARG . . . . . 0.553 ' HG2' ' O ' ' A' ' 437' ' ' THR . 31.0 mmm180 -67.29 -52.19 43.57 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.825 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 18.1 mttp -64.23 -20.11 65.82 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 -178.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 78.9 mt -87.8 -34.08 18.4 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -178.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . 0.687 ' HG2' ' O ' ' A' ' 440' ' ' LYS . 14.2 ptm180 -99.03 -34.85 10.24 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.915 0.339 . . . . 0.0 111.915 -176.413 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . 0.519 ' HG2' ' HG3' ' A' ' 444' ' ' ARG . 26.7 mm-40 -90.58 25.69 2.23 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.899 0.38 . . . . 0.0 110.526 -177.454 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.443 -0.789 . . . . 0.0 110.412 -179.084 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.848 0 N-CA-C 111.601 -0.599 . . . . 0.0 111.601 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 6.1 t -107.68 94.89 5.33 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 172.323 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . 0.418 ' HB3' HD22 ' A' ' 443' ' ' LEU . 7.2 mm-40 -69.65 130.05 41.33 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.926 -169.498 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 3.9 m -126.61 112.76 15.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.575 -178.364 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -65.48 -35.31 80.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.109 0.481 . . . . 0.0 109.871 178.413 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -66.22 -17.01 64.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.619 174.236 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.47 -57.27 17.29 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.826 179.898 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.555 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -70.83 -36.27 63.73 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 178.631 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.687 ' HA ' ' HE2' ' A' ' 399' ' ' LYS . 0.1 OUTLIER -56.43 -57.03 14.05 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -176.052 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -72.21 -36.92 69.31 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.976 0.417 . . . . 0.0 111.182 -178.272 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 401' ' ' GLU . . . . . 0.521 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 33.3 mm-40 -69.56 -37.42 77.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.725 179.935 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 402' ' ' ILE . . . . . 0.593 HG22 ' O ' ' A' ' 399' ' ' LYS . 13.7 tt -67.48 -28.87 43.6 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.374 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 -179.745 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.551 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 81.2 mtp180 -61.2 -45.78 93.18 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 171.928 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -64.89 -45.84 84.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.723 175.716 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 405' ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 48.1 mt-30 -61.77 -54.24 45.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.966 -178.298 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . 0.473 ' HG3' HG12 ' A' ' 402' ' ' ILE . 45.1 mt-10 -67.16 -22.04 65.78 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.785 0.326 . . . . 0.0 111.102 -178.433 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.551 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 4.3 t80 -64.1 -55.81 19.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.792 176.661 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.52 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.3 pp -72.81 -28.4 62.54 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 178.096 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 409' ' ' LEU . . . . . 0.45 ' N ' HD12 ' A' ' 408' ' ' LEU . 6.9 tt -58.81 -53.18 61.29 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 176.417 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 410' ' ' ASN . . . . . 0.505 HD21 ' NH1' ' A' ' 414' ' ' ARG . 7.6 t30 -58.71 -38.73 78.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.844 177.767 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 11.0 t -61.59 -61.63 2.38 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.825 179.803 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.601 ' HA ' ' OD2' ' A' ' 415' ' ' ASP . 4.3 pp -68.0 -21.42 65.04 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 120.896 0.379 . . . . 0.0 111.258 -177.854 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 18.3 t-160 -66.93 -32.85 74.38 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 174.21 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 414' ' ' ARG . . . . . 0.505 ' NH1' HD21 ' A' ' 410' ' ' ASN . 74.9 mtt180 -86.37 -12.39 49.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.269 179.728 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 415' ' ' ASP . . . . . 0.601 ' OD2' ' HA ' ' A' ' 412' ' ' LEU . 7.2 m-20 -65.69 -20.83 66.44 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.74 0.305 . . . . 0.0 110.601 170.217 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 74.8 mt -83.52 -17.25 42.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.445 179.6 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -94.94 145.47 24.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.8 -172.215 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 107.55 18.94 9.66 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -175.823 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 76.89 30.23 56.15 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.265 -0.493 . . . . 0.0 112.3 -177.778 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 46.6 mm -94.05 122.21 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.873 0.368 . . . . 0.0 110.79 -177.313 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -93.48 81.4 4.37 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.757 -0.461 . . . . 0.0 109.757 177.885 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -109.48 138.77 45.35 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.632 178.682 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -103.64 -32.0 9.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.94 0.4 . . . . 0.0 110.617 -178.856 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . 0.517 ' O ' ' HB2' ' A' ' 428' ' ' ARG . 33.1 t -68.63 -44.56 73.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.784 -175.574 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . 0.441 ' CG ' ' HB2' ' A' ' 412' ' ' LEU . 0.0 OUTLIER -65.16 -35.63 81.69 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.574 -177.689 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 426' ' ' GLU . . . . . 0.668 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 11.5 tp10 -64.52 -54.37 33.42 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.279 0.561 . . . . 0.0 110.073 -178.734 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -63.43 -26.29 68.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.582 176.839 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 428' ' ' ARG . . . . . 0.553 ' HA ' ' HE ' ' A' ' 428' ' ' ARG . 0.3 OUTLIER -74.29 -43.17 57.92 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.764 -177.381 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.668 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.5 pp -63.95 -34.87 78.95 Favored 'General case' 0 CA--C 1.514 -0.406 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.398 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 430' ' ' TRP . . . . . 0.419 ' N ' HD12 ' A' ' 429' ' ' LEU . 2.7 t90 -74.32 -30.45 62.05 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 120.188 -0.605 . . . . 0.0 110.374 178.003 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.477 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 9.5 tp10 -61.57 -58.14 9.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.199 0.523 . . . . 0.0 109.901 176.529 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.41 ' CG2' ' HB3' ' A' ' 405' ' ' GLN . 7.7 p -63.8 -33.94 65.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.931 -179.594 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -64.21 -47.53 79.39 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-O 120.878 0.371 . . . . 0.0 110.609 179.811 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 434' ' ' ARG . . . . . 0.477 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 36.5 ptt180 -68.83 -24.9 64.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.03 -175.665 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 435' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 431' ' ' GLU . 80.5 mt -73.75 -56.35 9.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.516 0.198 . . . . 0.0 110.798 176.626 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . 0.495 HD12 ' N ' ' A' ' 437' ' ' THR . 4.3 pp -60.91 -33.27 72.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.022 -178.911 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 0.727 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 76.4 m -70.87 -50.62 33.13 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.621 0.248 . . . . 0.0 111.047 178.744 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.22 -41.32 96.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.842 0.353 . . . . 0.0 111.053 -177.476 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.552 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 41.9 tp -63.64 -53.16 55.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.377 -177.091 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 440' ' ' LYS . . . . . 0.727 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 60.0 pttt -63.21 -30.11 71.32 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.084 0.469 . . . . 0.0 111.091 -177.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -73.27 -46.25 51.0 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.425 -179.303 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 439' ' ' LEU . 0.0 OUTLIER -73.8 -10.54 59.78 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.376 -0.53 . . . . 0.0 111.338 179.699 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 69.4 mt -92.24 -25.57 18.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.654 0.264 . . . . 0.0 111.203 176.043 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -107.28 -46.02 3.97 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -176.246 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -82.12 2.8 29.66 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.864 0.364 . . . . 0.0 110.679 -173.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.591 -0.719 . . . . 0.0 111.037 -179.603 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.765 0 N-CA-C 112.363 -0.295 . . . . 0.0 112.363 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 50.5 m -99.03 21.44 11.7 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.987 0.422 . . . . 0.0 111.206 -177.017 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -77.59 74.2 4.15 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 177.068 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 2.4 p -96.6 102.27 14.02 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.303 0.573 . . . . 0.0 112.517 -175.491 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . 0.546 ' NE2' ' HB2' ' A' ' 444' ' ' ARG . 15.7 mm-40 -67.35 -32.29 73.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.312 172.277 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -65.56 -19.58 65.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.489 174.32 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.47 -56.17 21.26 Favored Glycine 0 N--CA 1.45 -0.394 0 N-CA-C 111.582 -0.607 . . . . 0.0 111.582 178.316 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.525 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -71.86 -32.52 44.83 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.716 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 175.451 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' A' ' 395' ' ' GLN . 7.3 tppt? -56.76 -48.57 77.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.676 0.274 . . . . 0.0 110.956 -178.911 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' A' ' 404' ' ' ARG . 39.7 tt0 -67.63 -45.24 75.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.848 0.356 . . . . 0.0 110.781 178.28 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -64.49 -43.91 92.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.0 -0.546 . . . . 0.0 112.03 -179.161 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 402' ' ' ILE . . . . . 0.525 HD12 HD11 ' A' ' 398' ' ' ILE . 13.8 tt -65.28 -30.67 50.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 -177.686 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.583 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 97.3 mtt180 -60.3 -51.55 69.07 Favored 'General case' 0 C--O 1.225 -0.205 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 172.252 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . 0.605 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 68.2 mtp180 -63.44 -50.45 69.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.556 -179.91 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 405' ' ' GLN . . . . . 0.45 ' O ' ' HB2' ' A' ' 409' ' ' LEU . 80.5 mt-30 -66.54 -43.74 84.31 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.284 -173.584 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -74.62 -24.43 58.85 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 119.832 -0.747 . . . . 0.0 110.581 178.429 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.583 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.6 t80 -66.74 -53.44 33.24 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 175.887 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' A' ' 404' ' ' ARG . 3.1 pp -70.55 -30.86 67.69 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.008 179.293 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 409' ' ' LEU . . . . . 0.534 HD12 HG23 ' A' ' 432' ' ' VAL . 7.3 tt -60.57 -50.02 75.21 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 175.713 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -58.6 -42.69 88.69 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.155 178.315 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . 0.595 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 27.9 m -65.87 -53.91 33.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.129 -179.263 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.861 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 4.4 pp -66.05 -21.71 66.39 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.17 0.51 . . . . 0.0 110.548 -179.422 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 13.7 t-160 -65.79 -39.47 90.98 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.428 175.349 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 414' ' ' ARG . . . . . 0.595 ' HG2' ' O ' ' A' ' 411' ' ' SER . 17.7 ptt180 -76.67 -16.88 59.42 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.396 -0.521 . . . . 0.0 110.803 179.069 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 415' ' ' ASP . . . . . 0.583 ' OD2' ' HA ' ' A' ' 412' ' ' LEU . 64.2 m-20 -63.88 -25.86 68.35 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.575 0.226 . . . . 0.0 111.093 172.069 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.441 HD21 ' HB2' ' A' ' 425' ' ' LYS . 64.8 mt -81.75 -27.92 33.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.167 0.508 . . . . 0.0 110.986 -179.592 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . 0.466 HE21 ' HA ' ' A' ' 414' ' ' ARG . 49.4 mt-30 -84.14 146.87 27.64 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.998 -174.778 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 108.24 8.91 28.53 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.316 -0.713 . . . . 0.0 111.316 -176.085 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 81.37 35.73 22.45 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 121.025 -0.607 . . . . 0.0 111.853 -178.898 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 46.0 mm -94.56 128.35 45.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.719 0.295 . . . . 0.0 110.691 -176.875 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -91.58 87.2 6.26 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.099 0.476 . . . . 0.0 109.846 176.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . 0.485 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 11.6 t70 -133.99 119.67 19.31 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.538 -0.756 . . . . 0.0 109.63 178.298 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 88.3 mt -98.09 -8.01 28.53 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.947 -179.793 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 36.9 t -73.96 -51.53 15.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.9 -177.808 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . 0.861 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 3.5 mptp? -58.54 -36.96 74.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.047 179.105 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 426' ' ' GLU . . . . . 0.652 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 8.7 tp10 -62.7 -53.72 50.14 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.283 -177.866 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -64.45 -26.2 68.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.837 177.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -78.06 -37.95 45.51 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.99 -177.835 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.84 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.2 pp -64.56 -39.29 93.48 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 120.32 -0.552 . . . . 0.0 109.663 177.686 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 430' ' ' TRP . . . . . 0.402 ' N ' HD12 ' A' ' 429' ' ' LEU . 2.0 t90 -76.58 -25.38 53.93 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 120.306 -0.558 . . . . 0.0 110.377 178.531 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.444 ' O ' HG13 ' A' ' 435' ' ' ILE . 38.7 tt0 -61.91 -61.94 2.14 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.534 HG23 HD12 ' A' ' 409' ' ' LEU . 34.7 m -66.95 -30.15 48.64 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.307 -178.047 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -62.58 -46.6 87.58 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 121.141 0.496 . . . . 0.0 110.355 -178.588 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 434' ' ' ARG . . . . . . . . . . . . . 40.4 ptt180 -77.13 -25.05 51.67 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.457 -178.889 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 435' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 431' ' ' GLU . 76.2 mt -68.89 -53.3 27.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.96 175.584 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . 0.523 HD22 HG13 ' A' ' 402' ' ' ILE . 4.5 pp -61.7 -30.32 70.67 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.753 0.311 . . . . 0.0 110.772 179.2 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 0.87 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 93.2 m -68.93 -56.74 6.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.778 176.487 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . 0.541 ' O ' ' HD2' ' A' ' 442' ' ' LYS . . . -61.67 -35.95 79.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.081 -179.386 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 31.3 tp -60.85 -53.04 62.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.024 -178.059 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 440' ' ' LYS . . . . . 0.87 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 53.2 pttt -62.84 -25.11 68.11 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.849 -0.341 . . . . 0.0 110.884 -179.572 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 441' ' ' ARG . . . . . 0.608 ' HA ' ' HE ' ' A' ' 441' ' ' ARG . 0.8 OUTLIER -63.05 -57.62 10.04 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.615 177.545 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . 0.541 ' HD2' ' O ' ' A' ' 438' ' ' ALA . 0.0 OUTLIER -75.91 -9.76 58.87 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.315 -0.554 . . . . 0.0 111.653 -177.231 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 74.0 mt -99.11 -5.21 30.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.57 177.862 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . 0.546 ' HB2' ' NE2' ' A' ' 395' ' ' GLN . 71.3 ttt180 -125.15 -41.51 2.07 Favored 'General case' 0 CA--C 1.528 0.11 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 178.366 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' A' ' 441' ' ' ARG . 18.8 mm-40 -76.42 4.03 9.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.685 0.279 . . . . 0.0 111.048 -176.091 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.551 -0.737 . . . . 0.0 110.402 179.553 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.707 0 N-CA-C 111.961 -0.455 . . . . 0.0 111.961 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 40.7 t -92.34 -64.51 1.1 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 177.267 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . 0.434 ' HB2' HD21 ' A' ' 443' ' ' LEU . 0.4 OUTLIER -136.75 156.73 48.12 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 176.556 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 6.6 p -120.95 114.31 21.36 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -172.464 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -70.63 -35.49 72.95 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 173.3 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -70.96 -14.78 62.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.796 175.35 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.82 -63.09 4.25 Favored Glycine 0 N--CA 1.442 -0.939 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.176 178.309 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.614 ' HB ' HD23 ' A' ' 439' ' ' LEU . 9.1 tp -66.77 -22.84 30.21 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.735 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 178.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.544 ' O ' HG22 ' A' ' 402' ' ' ILE . 1.6 tppp? -59.51 -55.55 33.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.115 0.483 . . . . 0.0 110.431 175.234 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -73.49 -39.03 65.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.456 179.478 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 401' ' ' GLU . . . . . 0.489 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 46.3 mt-10 -62.83 -39.47 94.43 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.961 178.314 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 402' ' ' ILE . . . . . 0.546 ' HB ' ' O ' ' A' ' 398' ' ' ILE . 9.1 tt -68.93 -29.59 43.88 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.543 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 -178.356 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.59 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 74.3 mtp180 -58.71 -46.05 88.2 Favored 'General case' 0 C--O 1.228 -0.073 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 171.554 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 -67.67 -46.38 72.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.147 178.339 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 405' ' ' GLN . . . . . 0.489 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 45.4 mt-30 -67.13 -49.96 63.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.674 -176.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . 0.462 ' HG2' HG12 ' A' ' 402' ' ' ILE . 7.3 mm-40 -61.88 -29.18 70.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.897 0.379 . . . . 0.0 110.062 177.883 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.59 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 4.2 t80 -62.44 -54.23 43.25 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.113 179.386 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.593 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.3 pp -77.35 -27.35 52.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.382 -179.33 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 409' ' ' LEU . . . . . 0.538 ' O ' ' HB2' ' A' ' 413' ' ' HIS . 5.0 tt -61.48 -45.08 95.75 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 175.339 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 410' ' ' ASN . . . . . 0.446 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 14.2 t-20 -59.4 -47.36 85.73 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.376 177.581 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . 0.434 ' HA ' ' HG2' ' A' ' 414' ' ' ARG . 23.8 p -65.85 -48.76 70.52 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 -177.049 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.739 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 4.4 pp -69.1 -20.66 64.07 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 119.892 -0.723 . . . . 0.0 110.973 177.056 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . 0.538 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 17.5 t-160 -73.76 -42.12 61.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.218 176.046 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 414' ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' A' ' 410' ' ' ASN . 13.6 ptm180 -76.69 -8.86 58.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.842 0.353 . . . . 0.0 111.104 179.59 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -67.45 -21.79 65.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 109.997 169.859 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.49 HD12 ' HD2' ' A' ' 413' ' ' HIS . 54.6 mt -83.16 21.84 1.05 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.774 -178.631 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -118.22 146.04 44.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.173 178.801 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 88.32 -112.03 3.85 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.815 -179.285 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -110.57 89.3 0.54 Allowed Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 177.356 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 56.6 mt -61.1 107.53 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.222 0.534 . . . . 0.0 111.819 -175.16 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -121.64 34.04 5.32 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 122.176 0.989 . . . . 0.0 108.825 174.892 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . 0.767 ' HB3' ' HB2' ' A' ' 425' ' ' LYS . 2.6 m-20 -149.93 84.02 1.4 Allowed 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 113.385 -1.734 . . . . 0.0 110.548 -175.726 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -81.59 -29.75 33.21 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 176.328 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . 0.549 ' O ' ' HG2' ' A' ' 428' ' ' ARG . 70.9 m -70.13 -18.54 63.23 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.021 178.266 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . 0.767 ' HB2' ' HB3' ' A' ' 422' ' ' ASP . 0.9 OUTLIER -64.08 -33.33 75.51 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.243 0.544 . . . . 0.0 109.923 174.27 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 426' ' ' GLU . . . . . 0.661 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 44.5 tt0 -75.25 -39.12 60.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.467 178.577 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.451 ' OE2' ' HA ' ' A' ' 424' ' ' SER . 34.6 mt-10 -60.25 -31.38 70.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.817 172.815 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 428' ' ' ARG . . . . . 0.549 ' HG2' ' O ' ' A' ' 424' ' ' SER . 12.3 mmm180 -74.07 -45.44 49.37 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.278 -178.271 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.661 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.3 pp -60.8 -31.81 71.19 Favored 'General case' 0 C--O 1.224 -0.26 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.319 179.248 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -72.05 -37.11 69.75 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 120.743 0.306 . . . . 0.0 110.989 179.805 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 5.5 tp10 -62.63 -54.54 38.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.451 0.643 . . . . 0.0 109.548 179.721 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 8.2 p -66.72 -32.84 59.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.982 -179.378 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . 0.551 ' HB2' ' O ' ' A' ' 429' ' ' LEU . 5.2 tp-100 -59.43 -50.8 72.54 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 121.399 0.619 . . . . 0.0 109.966 179.216 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 434' ' ' ARG . . . . . 0.493 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 4.5 ptm180 -64.59 -33.61 76.32 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.666 -174.809 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 435' ' ' ILE . . . . . . . . . . . . . 83.5 mt -68.4 -56.06 13.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.019 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . 0.489 HD12 ' N ' ' A' ' 437' ' ' THR . 4.5 pp -64.1 -34.21 77.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.811 -177.848 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 0.489 ' N ' HD12 ' A' ' 436' ' ' LEU . 84.0 m -67.29 -48.32 68.0 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.695 -0.23 . . . . 0.0 110.737 178.313 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.94 -43.38 98.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.805 0.336 . . . . 0.0 111.075 -178.072 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.614 HD23 ' HB ' ' A' ' 398' ' ' ILE . 36.4 tp -72.32 -50.23 28.47 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.48 -175.776 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 440' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 436' ' ' LEU . 62.1 pttt -66.9 -28.19 68.11 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.651 -173.689 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 -82.36 -38.5 24.09 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.57 0.224 . . . . 0.0 111.088 -179.496 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -73.58 -27.64 61.42 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.797 177.565 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.508 ' HB2' ' O ' ' A' ' 439' ' ' LEU . 0.2 OUTLIER -78.12 -51.01 10.91 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.991 -179.886 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -78.06 -43.17 29.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.814 -172.74 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -84.5 34.42 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.928 0.394 . . . . 0.0 111.023 -174.016 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.569 -0.729 . . . . 0.0 110.113 177.64 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 391' ' ' GLY . . . . . 0.401 ' HA2' ' HA ' ' A' ' 444' ' ' ARG . . . . . . . . 0 N--CA 1.481 1.655 0 N-CA-C 111.781 -0.528 . . . . 0.0 111.781 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 2.0 p -89.26 -46.15 8.99 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.681 0.276 . . . . 0.0 111.495 -179.681 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . 0.477 ' HB2' HD11 ' A' ' 443' ' ' LEU . 32.5 mt-10 -123.07 -157.52 0.75 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.685 179.745 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 31.8 p -66.12 99.48 0.52 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 121.262 0.553 . . . . 0.0 112.27 -173.127 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -71.27 -26.95 63.11 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 173.734 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . 0.416 ' HA ' ' HB2' ' A' ' 399' ' ' LYS . . . -70.63 -16.38 62.82 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.237 172.283 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.23 -55.03 28.45 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.7 176.875 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.577 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -67.32 -33.88 65.47 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.846 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 178.007 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.64 ' O ' ' HG3' ' A' ' 403' ' ' ARG . 0.2 OUTLIER -58.86 -44.52 91.05 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.294 178.568 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -63.82 -57.1 10.92 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-O 121.195 0.521 . . . . 0.0 110.102 175.27 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 401' ' ' GLU . . . . . 0.453 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 47.6 mt-10 -55.95 -49.27 73.99 Favored 'General case' 0 C--O 1.213 -0.839 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.919 -178.208 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 402' ' ' ILE . . . . . 0.577 HD12 HD11 ' A' ' 398' ' ' ILE . 12.2 tt -60.08 -33.99 55.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -173.755 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.64 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 69.8 mtm180 -59.77 -47.68 84.7 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 120.269 -0.572 . . . . 0.0 109.457 174.619 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -77.93 -30.61 50.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.281 -178.43 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 405' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 98.5 mt-30 -71.78 -46.79 57.18 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.553 179.355 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -69.96 -22.78 63.13 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.534 -0.466 . . . . 0.0 109.916 176.333 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.517 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.9 t80 -63.69 -54.23 38.81 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.446 174.353 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.502 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.3 pp -71.08 -31.17 67.48 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.057 177.683 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 409' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 408' ' ' LEU . 6.5 tt -59.14 -50.94 72.13 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 175.795 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 410' ' ' ASN . . . . . 0.486 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 8.4 t30 -61.4 -41.69 97.54 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.242 177.184 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 39.9 t -57.97 -58.15 9.68 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.062 179.116 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.629 ' O ' ' HB2' ' A' ' 415' ' ' ASP . 4.5 pp -69.52 -18.73 63.7 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.988 -179.813 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . 0.427 ' O ' ' HG3' ' A' ' 417' ' ' GLN . 19.6 t-160 -75.03 -32.92 61.69 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 173.877 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 414' ' ' ARG . . . . . 0.486 ' HG2' ' O ' ' A' ' 410' ' ' ASN . 36.3 mmt180 -63.35 -30.72 71.8 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.292 176.525 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 415' ' ' ASP . . . . . 0.629 ' HB2' ' O ' ' A' ' 412' ' ' LEU . 0.4 OUTLIER -45.03 -47.39 11.64 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.955 174.501 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.532 ' HA ' ' HB ' ' A' ' 420' ' ' ILE . 0.4 OUTLIER -103.34 25.8 9.14 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.336 -174.84 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' A' ' 413' ' ' HIS . 44.6 mt-30 -118.31 159.97 22.47 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.891 0.376 . . . . 0.0 111.114 178.809 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 91.45 -34.63 4.24 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.933 -178.503 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 150.13 45.06 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 179.41 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 420' ' ' ILE . . . . . 0.532 ' HB ' ' HA ' ' A' ' 416' ' ' LEU . 17.7 mm -124.4 151.19 29.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 -175.681 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -117.15 99.29 6.94 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.855 0.36 . . . . 0.0 110.474 176.746 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . 0.46 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 9.9 t0 -135.94 108.68 7.52 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 177.777 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 92.1 mt -85.92 -20.0 29.66 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.165 -176.795 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 16.1 t -67.06 -46.89 72.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.51 -177.932 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . 0.496 ' HB2' HD22 ' A' ' 416' ' ' LEU . 15.9 mmtm -71.81 -28.18 63.42 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.805 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 426' ' ' GLU . . . . . 0.647 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 34.9 tt0 -66.48 -49.22 67.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.383 -178.526 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -70.32 -24.14 62.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.151 0.5 . . . . 0.0 110.035 177.649 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -76.68 -44.95 31.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.428 -178.685 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.2 pp -59.99 -34.2 73.0 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.084 0.469 . . . . 0.0 109.751 177.267 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -72.53 -29.47 63.62 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.181 179.806 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.63 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 37.3 tt0 -77.09 -44.41 30.66 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.864 179.627 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.442 HG12 ' HA ' ' A' ' 429' ' ' LEU . 10.8 p -68.63 -28.82 41.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 C-N-CA 120.327 -0.549 . . . . 0.0 109.925 177.425 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -67.38 -45.74 75.36 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.362 178.471 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 434' ' ' ARG . . . . . 0.63 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 35.8 ptt180 -63.98 -32.37 73.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.566 -177.945 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 435' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 431' ' ' GLU . 73.9 mt -66.82 -55.42 18.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.739 -0.21 . . . . 0.0 111.14 178.623 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . 0.42 HD12 ' N ' ' A' ' 437' ' ' THR . 4.5 pp -62.38 -32.02 72.77 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.786 0.327 . . . . 0.0 110.67 -179.008 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 0.805 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 70.6 m -68.79 -56.25 8.62 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.362 178.052 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -62.34 -42.27 99.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.077 -176.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.517 ' O ' ' HB2' ' A' ' 443' ' ' LEU . 38.3 tp -57.33 -57.5 12.36 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.388 -178.494 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 440' ' ' LYS . . . . . 0.805 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 59.3 pttt -61.17 -35.8 78.09 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.83 0.348 . . . . 0.0 111.569 -175.044 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 441' ' ' ARG . . . . . 0.486 ' HG2' ' O ' ' A' ' 437' ' ' THR . 10.4 mmm180 -74.05 -50.02 21.55 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -177.684 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -75.01 -9.65 58.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.312 -178.375 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.517 ' HB2' ' O ' ' A' ' 439' ' ' LEU . 9.5 tp -98.05 -20.21 17.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.167 0.508 . . . . 0.0 110.599 177.682 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . 0.401 ' HA ' ' HA2' ' A' ' 391' ' ' GLY . 56.2 ttt180 -98.16 -52.8 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.145 179.266 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -80.89 -7.77 59.56 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.453 -171.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.365 -0.826 . . . . 0.0 110.247 -179.135 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.481 0 N-CA-C 112.0 -0.44 . . . . 0.0 112.0 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 29.5 t -84.71 -43.08 14.64 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.789 0.328 . . . . 0.0 110.521 -178.263 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -93.71 105.84 17.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.567 -176.036 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 3.3 p -98.88 104.51 16.56 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.359 0.6 . . . . 0.0 111.314 -179.772 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -65.64 -40.93 93.05 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.607 178.384 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -69.44 -16.29 63.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.421 176.347 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.7 -60.27 7.59 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.655 178.899 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.546 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -63.15 -36.78 77.36 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.665 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.449 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.641 ' O ' ' HG3' ' A' ' 403' ' ' ARG . 0.9 OUTLIER -58.64 -50.47 73.74 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 120.886 -0.326 . . . . 0.0 111.687 -179.404 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -69.35 -47.83 63.15 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-O 121.1 0.476 . . . . 0.0 110.448 179.777 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 401' ' ' GLU . . . . . 0.444 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 48.7 mt-10 -60.14 -44.34 95.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.962 -179.085 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 402' ' ' ILE . . . . . 0.546 HD12 HD11 ' A' ' 398' ' ' ILE . 12.1 tt -66.37 -30.35 49.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.699 -0.228 . . . . 0.0 110.87 -176.664 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.641 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 76.9 mtt180 -56.47 -51.04 69.94 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 173.739 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . 0.442 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 13.3 mmt180 -75.24 -39.57 59.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.764 -176.568 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 405' ' ' GLN . . . . . 0.542 ' NE2' ' HB3' ' A' ' 436' ' ' LEU . 27.6 mt-30 -68.07 -43.09 79.41 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -178.351 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . 0.504 ' HA ' ' HB3' ' A' ' 409' ' ' LEU . 73.1 mt-10 -76.65 -19.18 58.06 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.162 176.911 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.584 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 4.3 t80 -63.72 -59.03 5.1 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 173.114 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.727 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.0 pp -68.35 -28.43 67.12 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.676 179.052 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 409' ' ' LEU . . . . . 0.504 ' HB3' ' HA ' ' A' ' 406' ' ' GLU . 51.7 tp -60.17 -44.72 94.8 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 174.718 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -66.46 -35.66 80.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.318 176.845 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 47.3 m -63.68 -58.07 8.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.795 177.644 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.727 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 2.0 pp -71.25 -11.16 60.77 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 -177.141 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . 0.469 ' CD2' HD22 ' A' ' 429' ' ' LEU . 7.1 m170 -78.73 -30.94 46.12 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.069 0.461 . . . . 0.0 109.879 171.355 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 -82.97 -7.65 59.64 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.167 0.508 . . . . 0.0 110.028 173.051 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 415' ' ' ASP . . . . . 0.652 ' O ' HG21 ' A' ' 420' ' ' ILE . 84.9 m-20 -83.01 -4.8 58.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.284 169.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 412' ' ' LEU . 97.6 mt -109.08 32.06 5.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.798 0.332 . . . . 0.0 111.004 -177.535 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -72.21 178.26 3.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.032 0.444 . . . . 0.0 111.422 179.051 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -63.38 124.46 31.72 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.685 -178.251 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 106.57 -6.21 38.33 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.888 179.847 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 420' ' ' ILE . . . . . 0.652 HG21 ' O ' ' A' ' 415' ' ' ASP . 49.0 mm -89.84 133.07 32.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.898 0.38 . . . . 0.0 110.881 -179.606 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 29.4 mtmm -122.61 44.92 2.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.862 0.839 . . . . 0.0 109.632 178.697 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . 0.53 ' H ' HG22 ' A' ' 420' ' ' ILE . 4.1 m-20 -103.88 94.44 5.42 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.712 -1.131 . . . . 0.0 111.484 -175.2 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 423' ' ' LEU . 4.2 mm? -81.44 -17.13 49.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.63 -179.87 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 14.1 t -61.7 -42.46 98.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.101 0.477 . . . . 0.0 110.116 177.753 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . 0.455 ' HD3' ' HB3' ' A' ' 415' ' ' ASP . 54.1 mttm -70.41 -29.61 66.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.49 178.4 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 426' ' ' GLU . . . . . 0.683 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 9.6 tp10 -65.38 -53.14 47.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.245 -178.093 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -66.22 -29.83 70.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.437 177.822 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -70.68 -44.44 66.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.674 -177.409 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.683 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 3.9 pp -63.26 -37.92 89.14 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.465 -178.579 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -70.04 -34.73 73.62 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.788 -178.624 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.617 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 5.5 tp10 -62.21 -51.81 66.3 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.398 0.618 . . . . 0.0 109.935 178.539 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.416 HG21 HD11 ' A' ' 408' ' ' LEU . 14.7 p -69.83 -34.17 59.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.572 -179.442 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -64.3 -48.77 74.38 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.018 179.617 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 434' ' ' ARG . . . . . 0.617 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 7.4 ptm180 -60.4 -36.65 78.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.41 -175.626 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 435' ' ' ILE . . . . . . . . . . . . . 86.7 mt -67.71 -57.56 9.1 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.312 179.412 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . 0.542 ' HB3' ' NE2' ' A' ' 405' ' ' GLN . 4.3 pp -59.98 -34.35 73.19 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 121.154 -0.218 . . . . 0.0 110.616 -178.169 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 0.737 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 77.3 m -71.87 -54.93 8.55 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.202 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -65.26 -35.93 82.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.714 0.292 . . . . 0.0 111.1 -174.695 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.536 HD23 ' HB ' ' A' ' 398' ' ' ILE . 31.9 tp -66.42 -52.92 41.55 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.411 -178.352 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 440' ' ' LYS . . . . . 0.737 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 59.9 pttt -64.66 -29.74 70.74 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 120.576 -0.449 . . . . 0.0 111.098 -176.376 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 441' ' ' ARG . . . . . 0.537 ' HG2' ' O ' ' A' ' 437' ' ' THR . 38.6 mmt180 -73.51 -46.0 50.49 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.413 179.6 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -75.97 -12.87 60.22 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.84 0.352 . . . . 0.0 111.3 -179.133 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 22.9 tp -98.54 -19.6 17.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.988 -179.459 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 24.8 ttt180 -109.84 -51.79 2.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.021 0.438 . . . . 0.0 111.569 -178.187 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -127.48 39.03 3.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.503 -167.301 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.349 -0.834 . . . . 0.0 110.772 178.01 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.614 0 N-CA-C 112.1 -0.4 . . . . 0.0 112.1 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 49.0 m -103.33 -3.54 25.43 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.973 0.416 . . . . 0.0 110.624 -178.158 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -78.68 135.91 37.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.421 -179.898 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 22.8 p -134.11 66.56 1.54 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.633 0.73 . . . . 0.0 110.896 173.92 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . 0.629 ' O ' ' HD3' ' A' ' 399' ' ' LYS . 30.3 mm-40 -66.89 -41.48 87.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.369 175.594 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -62.68 -25.26 68.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.689 173.727 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.58 -60.1 7.42 Favored Glycine 0 N--CA 1.448 -0.517 0 CA-C-N 115.194 -0.912 . . . . 0.0 112.237 179.376 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.519 ' HB ' HD23 ' A' ' 439' ' ' LEU . 0.0 OUTLIER -64.73 -32.88 59.9 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.578 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 -177.271 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.629 ' HD3' ' O ' ' A' ' 395' ' ' GLN . 2.1 mptm? -62.42 -49.4 75.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.075 0.464 . . . . 0.0 110.783 179.032 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -67.96 -47.0 69.83 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-O 121.454 0.645 . . . . 0.0 110.106 179.02 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -62.36 -46.08 90.26 Favored 'General case' 0 C--O 1.214 -0.798 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.053 -179.69 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 402' ' ' ILE . . . . . 0.827 HG13 HD13 ' A' ' 436' ' ' LEU . 11.6 tt -58.82 -28.34 37.5 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.336 0 CA-C-N 117.837 0.29 . . . . 0.0 110.42 -178.379 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.624 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 18.9 mtp180 -60.36 -57.25 13.58 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.548 -0.461 . . . . 0.0 109.829 173.235 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . 0.461 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 31.7 ptt180 -75.18 -21.22 58.89 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.605 -178.056 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 405' ' ' GLN . . . . . 0.522 ' HG3' HD21 ' A' ' 436' ' ' LEU . 11.6 mm100 -79.04 -53.12 7.33 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.729 -0.214 . . . . 0.0 111.043 -179.948 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . 0.436 ' O ' ' HB3' ' A' ' 410' ' ' ASN . 8.7 mm-40 -61.56 -24.93 66.99 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 175.087 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.624 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 7.0 t80 -60.56 -59.12 5.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.733 -1.122 . . . . 0.0 110.348 175.924 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.531 HD12 ' N ' ' A' ' 409' ' ' LEU . 2.4 pp -75.49 -28.69 59.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.936 -179.086 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 409' ' ' LEU . . . . . 0.531 ' N ' HD12 ' A' ' 408' ' ' LEU . 7.4 tt -61.87 -48.64 79.61 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 176.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 410' ' ' ASN . . . . . 0.493 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 0.0 OUTLIER -61.86 -39.24 91.2 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 177.952 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 35.4 t -60.95 -58.9 6.48 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.565 179.825 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.721 ' HB2' ' HE3' ' A' ' 425' ' ' LYS . 4.4 pp -67.92 -19.85 65.03 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.044 -178.779 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . 0.48 ' HD2' HD12 ' A' ' 416' ' ' LEU . 19.6 t-160 -74.13 -28.64 61.43 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.067 0.46 . . . . 0.0 109.974 175.438 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 414' ' ' ARG . . . . . 0.493 ' HG2' ' O ' ' A' ' 410' ' ' ASN . 13.5 mmt180 -71.23 -29.83 65.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.98 175.584 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 415' ' ' ASP . . . . . 0.45 ' CB ' ' HE2' ' A' ' 425' ' ' LYS . 34.6 m-20 -68.83 4.08 1.65 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.849 178.461 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.617 HD21 ' HB2' ' A' ' 425' ' ' LYS . 83.8 mt -108.74 -1.81 19.09 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.891 0.377 . . . . 0.0 110.702 176.972 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -127.47 155.48 43.64 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.231 0.539 . . . . 0.0 111.199 -174.793 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 100.72 25.16 8.74 Favored Glycine 0 N--CA 1.444 -0.83 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.402 -177.738 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 79.68 30.08 45.51 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.793 -0.718 . . . . 0.0 111.622 -177.246 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 48.6 mm -105.84 135.84 42.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 -178.026 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -110.38 122.51 47.87 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.156 0.503 . . . . 0.0 110.155 177.895 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -165.37 137.96 4.33 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.502 178.952 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.8 mp -113.04 -12.39 13.21 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.312 -177.625 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . 0.42 ' O ' ' HB2' ' A' ' 428' ' ' ARG . 42.7 m -86.95 -31.87 20.42 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.608 0.242 . . . . 0.0 110.933 -174.256 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . 0.721 ' HE3' ' HB2' ' A' ' 412' ' ' LEU . 21.6 mmmt -70.12 -29.91 66.97 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.758 -0.831 . . . . 0.0 108.758 175.102 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 426' ' ' GLU . . . . . 0.643 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 0.5 OUTLIER -66.97 -50.88 60.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.258 179.194 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -60.82 -29.89 69.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.587 175.684 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 428' ' ' ARG . . . . . 0.447 ' O ' HG23 ' A' ' 432' ' ' VAL . 34.9 ttm-85 -74.34 -46.76 38.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.727 -174.913 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.689 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.1 pp -61.83 -33.15 73.62 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 120.796 0.332 . . . . 0.0 110.307 178.605 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -68.44 -36.49 79.1 Favored 'General case' 0 N--CA 1.442 -0.847 0 C-N-CA 120.699 -0.401 . . . . 0.0 110.203 -179.371 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.63 ' HA ' ' HG2' ' A' ' 434' ' ' ARG . 26.2 tt0 -67.77 -43.65 79.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.048 176.593 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 428' ' ' ARG . 58.2 t -57.48 -45.62 85.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.893 0.377 . . . . 0.0 110.002 176.76 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -64.28 -49.94 69.88 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.776 -179.267 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 434' ' ' ARG . . . . . 0.63 ' HG2' ' HA ' ' A' ' 431' ' ' GLU . 18.6 ptt180 -63.12 -33.2 74.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.196 -175.46 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 435' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 431' ' ' GLU . 68.2 mt -68.03 -48.06 76.18 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.831 176.703 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . 0.827 HD13 HG13 ' A' ' 402' ' ' ILE . 96.0 mt -58.7 -45.76 88.78 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 120.72 0.295 . . . . 0.0 110.594 178.95 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 0.655 ' O ' ' HG2' ' A' ' 441' ' ' ARG . 53.9 m -58.63 -62.71 1.66 Allowed 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.583 176.714 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . 0.602 ' O ' ' HD3' ' A' ' 442' ' ' LYS . . . -60.04 -32.61 71.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.588 -174.111 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.519 HD23 ' HB ' ' A' ' 398' ' ' ILE . 25.1 tp -63.08 -61.75 2.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.743 -176.297 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 440' ' ' LYS . . . . . 0.455 ' HB3' HG21 ' A' ' 398' ' ' ILE . 60.5 pttt -65.25 -37.85 88.49 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -173.295 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 441' ' ' ARG . . . . . 0.655 ' HG2' ' O ' ' A' ' 437' ' ' THR . 13.7 mmm180 -59.4 -52.9 63.64 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.956 0.408 . . . . 0.0 110.675 -177.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . 0.602 ' HD3' ' O ' ' A' ' 438' ' ' ALA . 3.8 mptp? -76.36 -36.61 58.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.076 -177.516 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 439' ' ' LEU . 11.1 mp -88.07 9.49 22.37 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -175.923 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -112.07 -68.03 0.96 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.145 0.498 . . . . 0.0 110.66 170.743 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -109.14 35.14 3.38 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.281 -165.487 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 442' ' ' LYS . . . . . . . . 0 C--O 1.243 0.748 0 CA-C-O 118.531 -0.747 . . . . 0.0 109.763 175.224 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.752 0 N-CA-C 112.018 -0.433 . . . . 0.0 112.018 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 19.6 m 63.14 -85.34 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 123.454 0.701 . . . . 0.0 111.283 -178.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . 0.801 ' HB3' HD21 ' A' ' 443' ' ' LEU . 7.1 tp10 -93.81 -15.11 25.43 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.199 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 15.1 m 71.83 124.84 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.344 -0.843 . . . . 0.0 111.739 178.114 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . 0.482 ' OE1' ' HB2' ' A' ' 444' ' ' ARG . 25.6 tp60 -61.89 -39.76 93.09 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.329 0.585 . . . . 0.0 109.526 175.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -63.5 -17.29 62.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.879 174.68 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.5 -57.41 13.0 Favored Glycine 0 N--CA 1.443 -0.843 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.654 179.632 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.732 HD13 HD23 ' A' ' 439' ' ' LEU . 6.2 tp -69.86 -22.0 24.5 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.503 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 178.299 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.44 ' HD3' ' HA ' ' A' ' 399' ' ' LYS . 15.8 tppt? -58.77 -58.42 8.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.605 0.24 . . . . 0.0 110.619 174.495 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -69.98 -38.48 76.06 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 120.986 0.422 . . . . 0.0 110.974 -179.946 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 401' ' ' GLU . . . . . 0.577 ' HB2' ' HA ' ' A' ' 398' ' ' ILE . 59.4 mm-40 -55.61 -49.27 73.25 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.212 174.438 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 402' ' ' ILE . . . . . 0.721 ' HB ' ' O ' ' A' ' 398' ' ' ILE . 0.3 OUTLIER -61.89 -30.26 48.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.371 -176.535 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.572 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 57.6 mtt180 -57.77 -53.44 58.13 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 174.122 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 34.5 mtm105 -70.68 -43.24 69.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.497 -179.273 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 405' ' ' GLN . . . . . 0.461 ' NE2' ' HB3' ' A' ' 401' ' ' GLU . 75.5 mt-30 -65.81 -45.17 83.34 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -178.275 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . 0.442 ' HG3' HG12 ' A' ' 402' ' ' ILE . 36.3 mt-10 -75.44 -18.4 59.9 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.627 178.49 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.572 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 4.5 t80 -65.31 -55.74 16.56 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 174.818 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.566 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.8 pp -71.68 -29.09 64.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.769 178.132 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 409' ' ' LEU . . . . . 0.576 ' HA ' HD12 ' A' ' 412' ' ' LEU . 6.4 tt -60.53 -46.9 88.45 Favored 'General case' 0 CA--C 1.523 -0.086 0 N-CA-C 109.03 -0.729 . . . . 0.0 109.03 175.431 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -58.45 -39.94 81.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.952 178.444 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 20.8 m -59.86 -45.97 90.77 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 120.797 0.332 . . . . 0.0 111.204 177.508 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.583 ' HB2' ' HB3' ' A' ' 429' ' ' LEU . 9.3 mt -64.96 -44.97 87.66 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-O 121.985 0.898 . . . . 0.0 109.834 177.037 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -62.89 -38.1 89.57 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.127 -1.397 . . . . 0.0 111.207 -177.304 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 414' ' ' ARG . . . . . 0.492 ' NE ' ' HA ' ' A' ' 414' ' ' ARG . 3.4 mmp_? -82.81 -19.12 38.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.343 -179.468 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -58.56 -41.74 86.33 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.354 0.597 . . . . 0.0 109.89 177.005 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 19.6 mt -63.88 -29.69 70.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.901 -1.045 . . . . 0.0 110.761 -179.741 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . 0.533 ' HB2' HG12 ' A' ' 420' ' ' ILE . 45.9 mt-30 52.23 -98.25 0.07 Allowed 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.394 -177.014 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -126.35 -48.59 0.19 Allowed Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.697 178.227 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -141.16 36.18 1.76 Allowed Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.614 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 420' ' ' ILE . . . . . 0.533 HG12 ' HB2' ' A' ' 417' ' ' GLN . 32.3 mm -73.33 135.22 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 178.574 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 50.1 mttp -82.28 73.41 9.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.187 -177.722 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . 0.5 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 16.3 t0 -140.51 114.31 8.9 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 174.323 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . 0.409 HD22 ' N ' ' A' ' 423' ' ' LEU . 2.7 mm? -99.76 -13.15 19.4 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.226 0.536 . . . . 0.0 110.168 -177.186 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 32.7 t -75.37 -39.9 58.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.112 -176.8 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . 0.5 ' HG2' ' OD1' ' A' ' 422' ' ' ASP . 22.9 mmtp -62.89 -33.75 75.96 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.296 178.385 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 426' ' ' GLU . . . . . 0.56 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 0.7 OUTLIER -67.57 -52.93 32.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.822 -176.547 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -62.4 -30.11 70.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.788 177.571 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -77.59 -49.12 15.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.423 -176.289 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.583 ' HB3' ' HB2' ' A' ' 412' ' ' LEU . 4.2 pp -58.63 -34.99 71.8 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.559 176.107 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -74.44 -33.74 63.02 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 120.454 -0.499 . . . . 0.0 111.108 179.47 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.625 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 41.5 tt0 -60.97 -54.49 44.29 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.104 0.478 . . . . 0.0 110.128 178.347 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.497 HG21 HD11 ' A' ' 408' ' ' LEU . 11.9 p -67.49 -33.03 59.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.703 179.397 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -62.95 -47.19 84.29 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.177 179.066 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 434' ' ' ARG . . . . . 0.625 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 4.9 ptm180 -66.33 -28.36 68.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.658 -175.234 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 435' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 431' ' ' GLU . 68.5 mt -70.32 -57.8 7.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.051 176.517 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . 0.618 ' HB2' HG13 ' A' ' 402' ' ' ILE . 4.5 pp -60.6 -31.14 70.32 Favored 'General case' 0 C--O 1.225 -0.188 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.098 -179.817 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 0.688 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 98.0 m -68.58 -56.48 8.14 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 176.82 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.2 -35.78 78.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.224 -176.427 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.732 HD23 HD13 ' A' ' 398' ' ' ILE . 42.9 tp -68.62 -54.35 16.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.018 -177.507 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 440' ' ' LYS . . . . . 0.688 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 56.9 pttt -61.3 -32.52 72.37 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.863 0.363 . . . . 0.0 110.75 -177.311 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 441' ' ' ARG . . . . . 0.473 ' HG2' ' O ' ' A' ' 437' ' ' THR . 42.4 mmt180 -68.13 -61.61 1.78 Allowed 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.38 177.797 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . 1.058 ' HA ' ' HA ' ' A' ' 446' ' ' ALA . 0.4 OUTLIER -76.43 9.12 2.85 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -176.594 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.801 HD21 ' HB3' ' A' ' 393' ' ' GLU . 0.2 OUTLIER -96.97 -45.83 6.44 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 172.479 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . 0.482 ' HB2' ' OE1' ' A' ' 395' ' ' GLN . 36.4 ttt180 -90.95 -59.92 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.119 -177.937 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -93.9 -38.48 11.19 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.433 -174.534 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . 1.058 ' HA ' ' HA ' ' A' ' 442' ' ' LYS . . . . . . . . 0 C--O 1.248 0.978 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.723 -179.648 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.599 0 N-CA-C 111.573 -0.611 . . . . 0.0 111.573 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 392' ' ' SER . . . . . 0.416 ' HB3' ' HA ' ' A' ' 443' ' ' LEU . 11.1 t -101.19 -89.07 0.36 Allowed 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -173.511 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . 0.439 ' HG2' HG23 ' A' ' 394' ' ' THR . 42.5 tt0 -124.38 -96.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.172 -0.611 . . . . 0.0 112.557 -168.825 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.439 HG23 ' HG2' ' A' ' 393' ' ' GLU . 9.7 p -86.77 75.51 9.62 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -170.197 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . 0.615 ' O ' ' HD3' ' A' ' 399' ' ' LYS . 2.1 mm-40 -72.63 -41.19 65.77 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 173.914 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -61.32 -28.3 69.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.685 173.757 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.9 -58.26 13.69 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.063 -0.971 . . . . 0.0 112.256 -179.971 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.777 HD13 HD23 ' A' ' 439' ' ' LEU . 10.7 tp -69.8 -21.29 24.1 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.506 0 C-N-CA 120.626 -0.429 . . . . 0.0 110.605 -176.534 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.615 ' HD3' ' O ' ' A' ' 395' ' ' GLN . 1.2 mptm? -67.82 -48.35 66.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.491 0.186 . . . . 0.0 111.013 178.457 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -62.39 -50.27 72.22 Favored 'General case' 0 C--O 1.243 0.733 0 CA-C-O 121.625 0.726 . . . . 0.0 109.912 176.237 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -58.77 -53.07 62.47 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-N 114.75 -1.113 . . . . 0.0 111.091 -178.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 402' ' ' ILE . . . . . 0.655 HG13 HD13 ' A' ' 436' ' ' LEU . 13.6 tt -60.26 -31.01 47.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -173.495 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.623 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 99.2 mtt180 -59.34 -55.36 35.77 Favored 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 120.46 -0.496 . . . . 0.0 109.895 174.003 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . 0.618 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 20.3 mtm180 -70.25 -38.09 75.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.075 -179.094 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 405' ' ' GLN . . . . . 0.442 ' HB2' ' HA ' ' A' ' 402' ' ' ILE . 13.8 mm100 -64.09 -52.69 58.04 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.473 -177.741 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -71.45 -19.89 62.17 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.512 179.537 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.623 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.4 t80 -67.18 -55.73 12.88 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 174.898 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' A' ' 404' ' ' ARG . 2.7 pp -72.06 -27.86 62.96 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.079 178.777 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 409' ' ' LEU . . . . . 0.5 ' O ' ' HB2' ' A' ' 413' ' ' HIS . 7.1 tt -61.2 -49.85 75.5 Favored 'General case' 0 C--O 1.223 -0.294 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 175.402 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -61.52 -34.51 75.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.476 177.704 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . 0.574 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 40.4 t -67.0 -57.56 6.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.818 178.171 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.82 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 4.5 pp -67.24 -19.82 65.58 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.817 -179.08 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . 0.5 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 15.0 t-160 -69.02 -40.59 78.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.475 175.396 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 414' ' ' ARG . . . . . 0.574 ' HG2' ' O ' ' A' ' 411' ' ' SER . 9.4 ptp85 -75.48 -14.42 60.43 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-O 121.167 0.508 . . . . 0.0 109.812 178.676 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -75.63 -3.7 35.94 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.647 176.716 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 94.6 mt -98.59 9.63 42.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.466 179.915 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -132.53 170.18 15.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.946 0.403 . . . . 0.0 111.39 -178.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 91.92 23.26 28.24 Favored Glycine 0 N--CA 1.448 -0.54 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.033 -179.868 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 90.9 12.38 60.52 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.72 -0.752 . . . . 0.0 111.417 -178.178 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 45.2 mm -94.14 115.06 32.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.791 0.329 . . . . 0.0 110.561 -178.651 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -99.19 69.59 1.72 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.949 0.404 . . . . 0.0 110.414 177.051 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -98.85 136.99 38.08 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.123 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.9 mp -103.25 -29.63 11.15 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.783 0.325 . . . . 0.0 110.543 -178.506 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . 0.506 ' O ' ' HG2' ' A' ' 428' ' ' ARG . 67.5 p -64.52 -48.37 75.36 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.462 -174.396 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . 0.82 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 0.5 OUTLIER -60.92 -27.07 67.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.004 0.43 . . . . 0.0 111.479 -177.17 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 426' ' ' GLU . . . . . 0.61 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 33.4 tt0 -72.28 -49.23 36.4 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.315 0.579 . . . . 0.0 109.786 -179.057 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -63.47 -33.03 74.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.672 176.46 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 428' ' ' ARG . . . . . 0.523 ' O ' HG23 ' A' ' 432' ' ' VAL . 25.8 mmt180 -74.54 -39.1 62.53 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.304 -175.81 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 3.6 pp -62.62 -37.84 87.87 Favored 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 120.182 -0.607 . . . . 0.0 109.593 177.362 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -73.12 -34.17 65.97 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 120.536 -0.466 . . . . 0.0 109.758 179.478 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -61.03 -47.76 84.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.844 175.162 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.527 ' O ' ' HG ' ' A' ' 436' ' ' LEU . 89.9 t -60.44 -48.66 87.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.414 176.03 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -62.41 -43.38 98.96 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.165 -176.538 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 434' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 -68.5 -34.39 75.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.75 -176.17 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 435' ' ' ILE . . . . . . . . . . . . . 70.9 mt -71.22 -46.62 64.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 178.186 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . 0.655 HD13 HG13 ' A' ' 402' ' ' ILE . 98.1 mt -54.33 -55.73 25.5 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.276 175.821 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 29.8 m -58.38 -55.57 33.34 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.514 -177.799 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -56.29 -47.68 78.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.63 0.252 . . . . 0.0 111.247 -176.256 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.777 HD23 HD13 ' A' ' 398' ' ' ILE . 36.0 tp -64.99 -56.87 10.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.343 -176.828 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 440' ' ' LYS . . . . . 0.567 ' HB3' HG12 ' A' ' 398' ' ' ILE . 21.6 ptmt -60.61 -34.05 73.65 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.967 0.413 . . . . 0.0 111.639 -174.341 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 441' ' ' ARG . . . . . 0.689 ' HD2' ' OE2' ' A' ' 445' ' ' GLU . 15.2 mmt180 -71.64 -45.96 60.46 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.398 -177.173 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -66.85 -21.48 66.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 0.0 111.294 176.144 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 94.0 mt -89.94 -16.1 30.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.651 -179.173 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -107.84 -46.36 3.81 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.886 178.269 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . 0.689 ' OE2' ' HD2' ' A' ' 441' ' ' ARG . 42.9 mt-10 -78.89 -2.52 40.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.922 0.391 . . . . 0.0 111.202 -174.384 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.001 -0.999 . . . . 0.0 109.4 174.719 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.469 0 N-CA-C 111.84 -0.504 . . . . 0.0 111.84 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 392' ' ' SER . . . . . 0.95 ' HB2' HD22 ' A' ' 443' ' ' LEU . 50.5 m -152.8 155.37 37.01 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 177.908 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -91.11 9.02 32.7 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.279 -173.593 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 18.8 p -79.95 64.61 4.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.236 0.541 . . . . 0.0 111.062 178.448 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -70.02 -35.08 74.07 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.777 177.471 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -62.53 -22.35 66.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.206 172.041 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.03 -63.53 4.85 Favored Glycine 0 N--CA 1.443 -0.887 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.289 178.065 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.479 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -71.82 -32.75 45.84 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.598 0 CA-C-N 115.688 -0.256 . . . . 0.0 110.62 -179.135 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.15 -43.36 99.0 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.874 -178.219 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 404' ' ' ARG . 37.4 tt0 -72.49 -44.7 61.91 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.341 177.122 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -61.62 -46.31 90.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.727 -179.183 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 402' ' ' ILE . . . . . . . . . . . . . 14.4 tt -65.16 -33.99 67.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 C-N-CA 122.056 0.143 . . . . 0.0 110.783 -177.16 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.597 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 61.9 mtp180 -60.87 -46.72 89.5 Favored 'General case' 0 CA--C 1.517 -0.311 0 C-N-CA 120.657 -0.417 . . . . 0.0 109.891 175.908 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 400' ' ' GLU . 55.1 mtt180 -71.61 -41.13 69.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.39 -179.711 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 405' ' ' GLN . . . . . 0.439 ' HB3' ' HB ' ' A' ' 432' ' ' VAL . 74.3 mt-30 -69.42 -45.2 69.73 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.71 -176.904 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . 0.542 ' HA ' ' HB3' ' A' ' 409' ' ' LEU . 53.2 mt-10 -73.0 -20.98 60.91 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.504 -0.479 . . . . 0.0 110.533 178.175 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.597 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.5 t80 -66.74 -53.11 36.79 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 174.858 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.78 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.6 pp -71.45 -30.06 65.59 Favored 'General case' 0 C--O 1.224 -0.271 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.681 176.888 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 409' ' ' LEU . . . . . 0.621 ' HA ' HD12 ' A' ' 412' ' ' LEU . 3.2 tm? -56.91 -45.16 82.83 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 174.921 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -59.6 -42.94 93.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.077 175.294 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 22.7 t -60.92 -54.88 39.63 Favored 'General case' 0 C--O 1.218 -0.569 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.806 178.952 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.78 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 10.6 mt -51.63 -40.44 59.93 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-O 121.478 0.656 . . . . 0.0 110.512 -178.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -64.3 -29.97 71.04 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.698 178.653 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -86.48 -28.04 23.69 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.961 0.41 . . . . 0.0 110.434 175.093 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 415' ' ' ASP . . . . . 0.408 ' HB2' ' HA ' ' A' ' 412' ' ' LEU . 1.8 m-20 -69.03 -13.86 62.7 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.251 177.796 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.521 HD21 ' HB2' ' A' ' 425' ' ' LYS . 95.6 mt -97.66 5.55 49.2 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.718 -179.24 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -128.25 173.09 10.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.03 0.443 . . . . 0.0 111.14 -179.349 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 89.23 17.47 55.55 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.607 -177.035 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 91.72 32.78 8.32 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.876 -0.678 . . . . 0.0 111.632 -177.699 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 40.1 mm -119.6 130.81 73.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.748 0.309 . . . . 0.0 110.762 -176.139 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -121.74 87.27 2.72 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 175.249 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . 0.601 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 14.5 t70 -111.25 138.38 47.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.388 -175.643 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.9 mp -94.68 -27.72 15.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.846 0.355 . . . . 0.0 110.95 -175.135 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . 0.439 ' O ' ' HG2' ' A' ' 428' ' ' ARG . 22.7 t -68.17 -47.63 67.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.913 -179.122 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . 0.601 ' HG2' ' OD1' ' A' ' 422' ' ' ASP . 48.0 mmtt -56.82 -34.97 68.26 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.333 0.587 . . . . 0.0 110.253 -179.784 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 426' ' ' GLU . . . . . 0.7 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 7.2 tp10 -70.48 -51.33 29.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.096 -175.92 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -65.06 -29.61 70.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.414 178.598 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 428' ' ' ARG . . . . . 0.439 ' HG2' ' O ' ' A' ' 424' ' ' SER . 18.3 mmt180 -76.67 -41.26 46.27 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.517 -177.816 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.7 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.3 pp -61.24 -34.62 75.44 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.359 -0.536 . . . . 0.0 110.695 177.399 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -80.82 -25.3 37.87 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.609 178.446 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.48 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 9.4 tp10 -62.03 -57.31 12.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.089 177.904 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.707 HG11 HD11 ' A' ' 408' ' ' LEU . 31.9 m -69.95 -32.85 53.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 C-N-CA 121.12 -0.232 . . . . 0.0 111.077 -178.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -61.37 -43.43 98.88 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 120.93 0.395 . . . . 0.0 110.43 -179.195 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 434' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 29.1 ptt180 -72.21 -31.6 66.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.532 -179.731 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 435' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 431' ' ' GLU . 83.0 mt -70.79 -56.96 8.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.733 -0.212 . . . . 0.0 111.354 179.137 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . . . . . . . . . 4.5 pp -59.01 -32.7 69.95 Favored 'General case' 0 N--CA 1.461 0.082 0 C-N-CA 121.248 -0.181 . . . . 0.0 110.907 -177.034 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 0.778 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 41.6 m -74.75 -52.06 12.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.259 179.488 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 442' ' ' LYS . . . -61.42 -38.43 87.1 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.779 0.323 . . . . 0.0 110.561 -178.406 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.687 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 29.9 tp -62.94 -61.17 2.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.047 -179.496 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 440' ' ' LYS . . . . . 0.778 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 58.1 pttt -59.62 -34.67 73.07 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.089 0.471 . . . . 0.0 111.725 -175.202 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -76.34 -39.86 52.83 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.524 -177.56 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 438' ' ' ALA . 13.1 mptt -79.39 -11.74 59.92 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.922 -0.311 . . . . 0.0 111.314 179.424 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.95 HD22 ' HB2' ' A' ' 392' ' ' SER . 71.3 mt -90.97 -46.47 8.14 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.059 177.325 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 21.3 tpp180 -96.61 -51.4 4.33 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -174.414 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -78.05 -29.45 49.27 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -173.264 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.302 -0.856 . . . . 0.0 110.98 -178.521 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.412 0 N-CA-C 111.633 -0.587 . . . . 0.0 111.633 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 9.5 t 58.43 35.17 24.56 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 121.431 0.634 . . . . 0.0 110.011 179.942 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . 0.553 ' H ' ' CD ' ' A' ' 393' ' ' GLU . 0.6 OUTLIER -87.41 56.74 4.08 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.335 -175.063 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.439 ' O ' HD13 ' A' ' 443' ' ' LEU . 2.0 m -73.07 100.09 2.93 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.803 177.653 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . 0.516 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 22.9 tp60 -59.45 -39.91 85.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.031 0.443 . . . . 0.0 109.957 178.429 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -66.36 -17.96 65.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.85 177.91 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -58.03 -56.6 24.29 Favored Glycine 0 N--CA 1.451 -0.363 0 N-CA-C 111.378 -0.689 . . . . 0.0 111.378 -179.582 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.59 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -71.3 -36.07 60.2 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.861 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 177.854 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.516 ' HG2' ' O ' ' A' ' 395' ' ' GLN . 24.8 mmtp -60.06 -46.6 89.02 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.853 -175.33 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -69.89 -44.45 69.72 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 120.857 0.361 . . . . 0.0 110.766 179.438 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -67.34 -38.67 85.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.911 -179.466 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 402' ' ' ILE . . . . . 0.59 HD12 HD11 ' A' ' 398' ' ' ILE . 14.8 tt -67.32 -33.49 63.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 -177.637 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.579 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 72.6 mtp180 -60.83 -43.33 98.39 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 175.024 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . 0.497 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 91.7 mtt180 -67.55 -50.17 59.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.587 176.179 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 405' ' ' GLN . . . . . 0.558 ' O ' ' HB2' ' A' ' 409' ' ' LEU . 28.9 mt-30 -63.03 -43.82 97.66 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.358 -175.639 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . 0.429 ' HG3' HG12 ' A' ' 402' ' ' ILE . 49.8 mt-10 -73.01 -27.49 61.81 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.875 178.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.579 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.5 t80 -66.29 -51.82 53.57 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 177.815 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.669 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.2 pp -71.61 -30.24 65.57 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.453 176.947 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 409' ' ' LEU . . . . . 0.558 ' HB2' ' O ' ' A' ' 405' ' ' GLN . 6.0 tt -57.21 -54.27 48.65 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 108.706 -0.849 . . . . 0.0 108.706 175.019 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -52.05 -43.12 63.62 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.484 0.49 . . . . 0.0 110.859 177.864 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 19.3 m -62.85 -57.34 11.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.197 -178.338 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.669 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 3.7 pp -74.94 -16.11 60.66 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 121.068 0.461 . . . . 0.0 111.181 -178.095 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . 0.471 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 20.5 t-160 -72.42 -37.91 68.51 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 174.448 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -87.98 -5.79 58.34 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.023 179.44 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 415' ' ' ASP . . . . . 0.557 ' HB2' ' HA ' ' A' ' 412' ' ' LEU . 4.8 t70 -65.55 -25.41 67.42 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.646 0.736 . . . . 0.0 109.968 174.435 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 34.5 mt -69.88 -33.83 72.76 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.186 178.3 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . 0.627 ' HB2' HG12 ' A' ' 420' ' ' ILE . 17.3 mm-40 63.22 -70.5 0.06 Allowed 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 176.112 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 147.91 60.37 0.01 OUTLIER Glycine 0 N--CA 1.442 -0.937 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 -174.018 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 142.6 -15.79 2.45 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 111.521 -0.632 . . . . 0.0 111.521 -173.726 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 420' ' ' ILE . . . . . 0.627 HG12 ' HB2' ' A' ' 417' ' ' GLN . 42.8 mm -75.78 120.56 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 178.244 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -82.94 75.18 9.85 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.981 0.42 . . . . 0.0 110.801 -179.637 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . 0.518 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 9.9 t0 -127.26 112.81 15.51 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.744 175.926 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.5 mp -95.76 -22.57 17.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.117 -176.72 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 24.8 m -66.93 -35.67 80.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.382 -178.646 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . 0.555 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 0.2 OUTLIER -69.52 -28.83 66.37 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.648 177.09 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 426' ' ' GLU . . . . . 0.671 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 44.2 mt-10 -70.32 -52.43 22.76 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.254 0.549 . . . . 0.0 110.119 179.464 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -66.95 -20.3 65.87 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.513 -179.614 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 -82.37 -42.91 18.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.597 -179.306 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.671 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.3 pp -61.96 -36.11 80.46 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.967 0.413 . . . . 0.0 110.087 179.035 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 4.1 t90 -77.55 -31.24 53.16 Favored 'General case' 0 N--CA 1.438 -1.046 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.139 179.425 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.546 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 33.3 tt0 -64.77 -49.98 68.61 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.733 -179.605 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.428 HG23 HD12 ' A' ' 409' ' ' LEU . 16.1 m -69.89 -28.46 36.8 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.578 178.801 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -70.59 -48.03 57.28 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.755 0.312 . . . . 0.0 110.408 179.508 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 434' ' ' ARG . . . . . 0.546 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 35.1 ptt180 -61.77 -31.58 71.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.111 -178.445 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 435' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 431' ' ' GLU . 79.1 mt -72.91 -53.28 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.991 177.366 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . 0.47 ' HB3' ' NE2' ' A' ' 405' ' ' GLN . 4.6 pp -61.48 -32.49 72.51 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.823 0.344 . . . . 0.0 110.819 -177.615 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 0.504 ' O ' ' HG2' ' A' ' 441' ' ' ARG . 58.4 m -68.63 -57.71 5.33 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.872 178.389 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -63.84 -36.42 83.86 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.729 0.3 . . . . 0.0 111.239 -176.224 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.459 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 43.2 tp -60.71 -54.75 41.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.959 -178.734 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 440' ' ' LYS . . . . . 0.491 ' HB3' HG13 ' A' ' 398' ' ' ILE . 18.1 pttp -64.37 -27.5 69.05 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.869 0.366 . . . . 0.0 111.056 -177.098 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 441' ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' A' ' 437' ' ' THR . 28.4 mmm180 -65.91 -51.55 57.65 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.486 177.436 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 44.3 mtpt -72.41 -10.97 60.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.667 0.27 . . . . 0.0 111.654 -179.398 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 74.8 mt -93.15 -51.17 5.15 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.684 178.797 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 30.9 ttt180 -89.4 -37.93 14.48 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.399 -0.52 . . . . 0.0 112.085 -175.623 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -83.12 19.43 1.44 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.89 0.376 . . . . 0.0 111.368 -171.858 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.323 178.274 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.78 0 N-CA-C 112.597 -0.201 . . . . 0.0 112.597 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 46.9 m -108.11 81.24 1.46 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 177.166 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -57.9 -58.82 6.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.005 179.123 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -146.61 98.36 3.05 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 121.084 0.468 . . . . 0.0 110.934 176.307 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . 0.63 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 19.6 mm-40 -69.61 -35.18 75.06 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 174.389 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -64.5 -22.1 66.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.166 174.277 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.37 -59.24 10.25 Favored Glycine 0 N--CA 1.445 -0.748 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.652 -179.715 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.522 ' HB ' HD23 ' A' ' 439' ' ' LEU . 0.0 OUTLIER -67.06 -34.58 70.69 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.745 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 -177.588 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.63 ' HG2' ' O ' ' A' ' 395' ' ' GLN . 33.9 mmtp -58.31 -53.32 59.61 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.308 -178.839 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 403' ' ' ARG . 28.6 tt0 -68.77 -44.76 73.03 Favored 'General case' 0 C--O 1.243 0.739 0 CA-C-O 121.502 0.668 . . . . 0.0 110.25 -179.045 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 401' ' ' GLU . . . . . 0.64 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 41.9 mt-10 -62.36 -45.77 91.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.215 179.499 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 402' ' ' ILE . . . . . 0.521 HD12 HD11 ' A' ' 398' ' ' ILE . 13.3 tt -65.4 -35.06 74.42 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.451 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -172.981 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.611 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 17.4 ptm180 -64.02 -39.24 93.65 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 119.231 -0.988 . . . . 0.0 109.777 176.83 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 62.9 mtt180 -70.62 -38.9 73.99 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.239 174.545 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 405' ' ' GLN . . . . . 0.64 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 46.0 mt-30 -66.21 -54.59 23.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.448 179.701 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . 0.401 ' HG2' HG12 ' A' ' 402' ' ' ILE . 5.8 mm-40 -61.29 -28.45 69.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.776 0.322 . . . . 0.0 110.137 179.307 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.611 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 4.8 t80 -63.08 -53.49 52.87 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.098 178.493 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.557 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.0 pp -73.22 -31.46 64.17 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 178.868 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 409' ' ' LEU . . . . . 0.49 ' N ' HD12 ' A' ' 408' ' ' LEU . 5.6 tt -60.23 -48.59 81.09 Favored 'General case' 0 C--O 1.223 -0.342 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 177.427 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -55.43 -45.3 76.77 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.891 174.427 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . 0.424 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 40.5 m -63.21 -52.92 60.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.309 -177.38 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.755 ' HB2' ' HB3' ' A' ' 425' ' ' LYS . 4.1 pp -71.47 -23.32 61.8 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.129 -179.845 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . 0.447 ' N ' HD12 ' A' ' 412' ' ' LEU . 11.8 t-160 -65.75 -40.69 92.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.769 0.318 . . . . 0.0 110.748 176.993 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 414' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 411' ' ' SER . 15.1 ptm180 -82.44 -16.66 48.09 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.083 -179.918 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -67.69 -21.25 65.33 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.12 175.302 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.529 HD21 ' HB2' ' A' ' 425' ' ' LYS . 45.8 mt -82.47 -9.24 59.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.834 177.056 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -121.7 172.6 8.01 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 -171.392 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 86.38 24.81 38.44 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.689 -0.767 . . . . 0.0 111.559 -179.389 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 82.94 45.59 6.62 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 121.077 -0.582 . . . . 0.0 112.358 -179.447 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 50.6 mm -121.74 131.39 73.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.523 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -97.77 76.32 2.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.594 0.711 . . . . 0.0 110.506 178.107 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . 0.467 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 11.8 t70 -126.13 136.93 53.48 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.845 178.44 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.3 mp -119.4 -7.71 10.16 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.527 0.68 . . . . 0.0 109.94 177.416 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 4.7 t -73.23 -40.77 64.42 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.862 -174.453 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . 0.755 ' HB3' ' HB2' ' A' ' 412' ' ' LEU . 21.0 mmtm -69.6 -23.44 63.52 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -179.541 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 426' ' ' GLU . . . . . 0.62 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 30.3 tt0 -72.53 -42.14 65.07 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 -178.57 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -64.05 -28.52 69.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.833 173.37 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 35.0 mmt180 -76.23 -43.98 39.65 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.336 -179.873 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.62 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.3 pp -62.48 -33.02 74.03 Favored 'General case' 0 CA--C 1.513 -0.451 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.608 -179.261 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 430' ' ' TRP . . . . . 0.404 ' N ' HD12 ' A' ' 429' ' ' LEU . 3.9 t90 -76.43 -34.13 58.77 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 120.037 -0.665 . . . . 0.0 110.262 179.149 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.655 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 43.6 tt0 -62.79 -53.73 49.76 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.224 178.498 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.401 HG13 HD12 ' A' ' 409' ' ' LEU . 9.0 p -66.48 -34.24 68.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.84 179.668 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -62.85 -48.92 76.97 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 120.925 0.393 . . . . 0.0 110.306 178.681 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 434' ' ' ARG . . . . . 0.655 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 11.5 ptm180 -64.21 -29.52 70.62 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.592 -175.037 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 435' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 431' ' ' GLU . 73.8 mt -71.15 -56.99 8.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.161 177.757 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . 0.465 HD12 ' N ' ' A' ' 437' ' ' THR . 4.3 pp -60.99 -35.79 77.76 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 120.638 0.256 . . . . 0.0 111.12 -177.937 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 0.465 ' N ' HD12 ' A' ' 436' ' ' LEU . 56.5 m -69.41 -52.57 25.61 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.159 178.951 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -65.05 -32.09 73.63 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 120.762 0.315 . . . . 0.0 110.773 -176.373 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.522 HD23 ' HB ' ' A' ' 398' ' ' ILE . 33.3 tp -65.69 -60.66 2.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.806 -177.226 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 440' ' ' LYS . . . . . . . . . . . . . 57.7 pttt -62.35 -36.77 83.27 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.673 -175.734 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -70.25 -42.14 72.56 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.139 -177.7 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -69.5 -38.15 77.51 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 121.029 -0.268 . . . . 0.0 110.931 177.707 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 56.6 mt -76.15 -18.34 59.16 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -177.03 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -111.0 -44.55 3.58 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.401 -0.52 . . . . 0.0 112.245 -176.024 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -83.63 6.12 21.92 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.749 0.277 . . . . 0.0 111.749 -173.527 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.359 -0.829 . . . . 0.0 110.614 178.587 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 391' ' ' GLY . . . . . 0.523 ' O ' ' HA ' ' A' ' 444' ' ' ARG . . . . . . . . 0 N--CA 1.478 1.447 0 N-CA-C 111.858 -0.497 . . . . 0.0 111.858 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 392' ' ' SER . . . . . 0.688 ' HB3' ' HG2' ' A' ' 395' ' ' GLN . 48.8 m -137.71 -51.26 0.62 Allowed 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.556 -0.165 . . . . 0.0 110.556 179.054 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . 0.47 ' HB3' HD22 ' A' ' 443' ' ' LEU . 17.0 tt0 57.62 -89.83 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 O-C-N 123.882 0.739 . . . . 0.0 111.111 -177.602 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 17.5 p -122.15 66.43 0.92 Allowed 'General case' 0 N--CA 1.442 -0.863 0 CA-C-O 121.061 0.457 . . . . 0.0 110.833 -177.574 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . 0.688 ' HG2' ' HB3' ' A' ' 392' ' ' SER . 28.3 mm-40 -62.24 -44.25 96.99 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 177.847 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -62.24 -23.39 66.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.169 175.299 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . 0.484 ' O ' ' HB2' ' A' ' 401' ' ' GLU . . . -61.1 -58.4 13.76 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.663 176.691 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.941 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -71.07 -33.63 52.15 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.379 0 O-C-N 123.452 0.148 . . . . 0.0 110.664 -179.278 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.661 ' HG2' ' O ' ' A' ' 395' ' ' GLN . 34.1 mmtp -59.96 -59.55 5.25 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.576 -179.255 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -63.77 -43.31 96.76 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.059 0.457 . . . . 0.0 110.213 -178.289 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 401' ' ' GLU . . . . . 0.484 ' HB2' ' O ' ' A' ' 397' ' ' GLY . 10.4 tt0 -54.94 -54.66 39.91 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.362 175.65 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 402' ' ' ILE . . . . . 0.941 HD12 HD11 ' A' ' 398' ' ' ILE . 0.3 OUTLIER -58.19 -29.9 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 O-C-N 123.385 0.428 . . . . 0.0 111.4 -177.117 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.657 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 81.0 mtp180 -57.0 -52.97 63.13 Favored 'General case' 0 CA--C 1.521 -0.168 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 174.794 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . 0.42 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 20.8 mmm180 -75.92 -39.29 56.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.093 -179.671 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 405' ' ' GLN . . . . . 0.556 ' HB2' ' HA ' ' A' ' 402' ' ' ILE . 12.9 mm100 -61.96 -47.9 82.79 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.135 -179.36 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . 0.649 ' HA ' ' HB3' ' A' ' 409' ' ' LEU . 33.9 mt-10 -76.87 -18.78 58.13 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.507 178.236 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.657 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 4.6 t80 -67.19 -51.8 49.14 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 175.199 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.689 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.2 pp -70.79 -32.13 69.13 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.317 176.33 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 409' ' ' LEU . . . . . 0.649 ' HB3' ' HA ' ' A' ' 406' ' ' GLU . 52.3 tp -59.15 -45.07 91.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.145 0.498 . . . . 0.0 109.673 174.544 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -60.27 -44.61 95.18 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.388 -0.823 . . . . 0.0 109.922 176.157 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . 0.424 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 24.7 m -62.24 -57.39 11.63 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.249 -179.666 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.689 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 3.3 pp -67.8 -16.56 64.17 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -176.919 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . 0.41 ' N ' HD12 ' A' ' 412' ' ' LEU . 5.3 m170 -70.02 -40.95 74.9 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 120.735 0.302 . . . . 0.0 110.803 173.37 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 414' ' ' ARG . . . . . 0.472 ' HA ' HE21 ' A' ' 417' ' ' GLN . 28.6 ptt180 -80.43 -13.77 58.85 Favored 'General case' 0 C--N 1.328 -0.37 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.401 178.185 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 415' ' ' ASP . . . . . 0.459 ' OD2' ' HA ' ' A' ' 412' ' ' LEU . 17.1 m-20 -69.56 -17.25 63.54 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.923 0.392 . . . . 0.0 110.148 172.434 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.479 HD21 ' HB2' ' A' ' 425' ' ' LYS . 44.4 mt -95.99 -1.75 48.37 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.248 176.959 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . 0.472 HE21 ' HA ' ' A' ' 414' ' ' ARG . 49.5 mt-30 -112.89 150.92 31.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.096 -175.407 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 99.65 18.03 24.34 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.485 -0.646 . . . . 0.0 111.485 -178.502 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 83.05 31.21 29.32 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.063 -179.035 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 32.9 mm -102.93 137.31 31.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.791 0.329 . . . . 0.0 110.453 -178.594 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -113.88 109.06 17.91 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.228 0.537 . . . . 0.0 109.898 176.312 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . 0.574 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 9.9 t70 -143.48 113.07 6.97 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.066 -177.977 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 91.1 mt -82.76 -14.48 54.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.199 -177.533 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 35.2 t -71.71 -53.32 13.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.944 -178.142 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . 0.574 ' HD3' ' OD1' ' A' ' 422' ' ' ASP . 12.1 mptt -62.53 -29.58 70.67 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.985 -179.217 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 426' ' ' GLU . . . . . 0.693 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 34.7 tt0 -68.58 -57.81 5.2 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.687 -176.33 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -62.97 -29.21 70.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.992 0.425 . . . . 0.0 110.423 177.421 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 428' ' ' ARG . . . . . 0.482 ' O ' HG12 ' A' ' 432' ' ' VAL . 17.9 ttt180 -73.31 -39.38 65.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.853 -178.306 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.693 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 3.6 pp -64.11 -32.94 74.69 Favored 'General case' 0 CA--C 1.514 -0.406 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.293 -179.939 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -77.07 -32.89 57.11 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.375 177.17 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 36.1 tt0 -60.37 -57.41 12.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.353 176.729 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.536 HG23 ' NE2' ' A' ' 405' ' ' GLN . 4.9 p -61.52 -38.44 80.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.851 179.5 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -63.37 -47.36 82.39 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.332 -177.978 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 434' ' ' ARG . . . . . 0.5 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 2.4 ptm180 -69.42 -28.3 66.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.492 -175.587 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 435' ' ' ILE . . . . . . . . . . . . . 72.3 mt -74.43 -53.06 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.217 178.934 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . 0.684 ' HB2' HG13 ' A' ' 402' ' ' ILE . 4.4 pp -61.49 -33.17 73.32 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.672 0.272 . . . . 0.0 110.788 -179.822 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 0.497 ' N ' HD12 ' A' ' 436' ' ' LEU . 46.8 m -72.1 -55.97 6.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.817 177.876 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.02 -31.14 70.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.668 0.271 . . . . 0.0 111.052 -177.835 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.685 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 45.6 tp -63.57 -61.42 2.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.392 179.148 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 440' ' ' LYS . . . . . 0.489 ' HB3' HG13 ' A' ' 398' ' ' ILE . 56.3 pttt -62.61 -28.72 70.09 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.684 0.278 . . . . 0.0 111.522 -178.141 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -68.55 -56.5 8.11 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.167 176.956 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -56.18 -43.74 78.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.357 -179.747 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.685 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 85.7 mt -59.53 -44.01 93.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.53 -179.382 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . 0.523 ' HA ' ' O ' ' A' ' 391' ' ' GLY . 98.3 mtt180 -83.7 -40.92 18.28 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.67 -175.233 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -74.54 -22.97 58.75 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.621 0.23 . . . . 0.0 111.621 -175.616 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.91 0 CA-C-O 118.609 -0.71 . . . . 0.0 110.046 175.498 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.803 0 N-CA-C 112.057 -0.417 . . . . 0.0 112.057 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 3.2 m -95.75 -52.26 4.16 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 177.919 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 62.9 9.82 3.95 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.756 175.693 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.402 ' N ' HD21 ' A' ' 443' ' ' LEU . 2.7 p -85.86 76.96 9.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.773 0.321 . . . . 0.0 111.12 177.369 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . 0.555 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 0.1 OUTLIER -69.43 -29.27 66.95 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 -178.893 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -67.86 -18.64 64.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.17 0.51 . . . . 0.0 109.797 173.499 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.44 -58.62 11.62 Favored Glycine 0 N--CA 1.443 -0.9 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.41 177.175 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.485 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -66.38 -32.14 56.76 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.846 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.689 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' A' ' 395' ' ' GLN . 33.0 mmtp -58.63 -49.93 75.69 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.863 0.363 . . . . 0.0 111.02 179.717 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -66.2 -49.05 68.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.181 0.515 . . . . 0.0 110.355 178.784 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -64.67 -39.9 94.48 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.299 -176.916 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 402' ' ' ILE . . . . . 0.682 HG13 HD22 ' A' ' 436' ' ' LEU . 12.3 tt -66.83 -30.09 48.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 117.544 0.157 . . . . 0.0 110.811 -177.584 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.653 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 89.6 mtt180 -64.18 -46.95 81.7 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 177.142 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -68.77 -42.82 76.94 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.587 -1.188 . . . . 0.0 111.327 178.164 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 405' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -67.82 -46.05 72.94 Favored 'General case' 0 C--O 1.221 -0.398 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -177.436 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . 0.444 ' HA ' ' HB3' ' A' ' 409' ' ' LEU . 40.5 mt-10 -71.59 -20.55 61.98 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.183 -0.607 . . . . 0.0 110.211 177.236 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.653 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 9.1 t80 -67.83 -54.21 20.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.678 175.949 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.682 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.3 pp -70.61 -30.63 67.35 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.364 177.563 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 409' ' ' LEU . . . . . 0.546 ' HG ' ' HB2' ' A' ' 429' ' ' LEU . 8.3 tt -57.71 -48.96 78.11 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 174.441 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -58.82 -42.27 88.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.03 176.222 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 31.2 m -62.28 -57.22 12.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.994 -179.662 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.682 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 3.9 pp -71.73 -15.73 62.2 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 111.035 -178.245 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . 0.479 ' HD2' HD12 ' A' ' 416' ' ' LEU . 15.7 t-160 -74.46 -37.14 63.3 Favored 'General case' 0 CA--C 1.516 -0.329 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 172.866 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 31.3 mtm180 -68.34 -22.54 64.68 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.494 177.163 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 415' ' ' ASP . . . . . 0.595 ' OD2' ' HA ' ' A' ' 412' ' ' LEU . 9.4 m-20 -64.5 -19.05 65.35 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.669 173.334 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.625 HD21 ' HB2' ' A' ' 425' ' ' LYS . 58.1 mt -92.46 -18.77 22.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.184 0.516 . . . . 0.0 110.921 -177.836 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -92.19 130.93 37.79 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.13 -171.306 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 116.89 33.69 1.35 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.414 -0.898 . . . . 0.0 112.59 179.581 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 71.3 28.94 69.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.9 -0.666 . . . . 0.0 112.49 -179.772 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 36.9 mm -92.17 126.64 44.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.648 0.261 . . . . 0.0 110.717 -178.073 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -93.96 86.44 5.04 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.19 0.519 . . . . 0.0 109.601 174.391 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -137.92 132.11 31.93 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.644 177.447 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . 0.406 ' O ' ' HG2' ' A' ' 427' ' ' GLU . 68.8 mt -111.35 -18.84 12.82 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.213 179.327 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . 0.513 ' O ' ' HG3' ' A' ' 428' ' ' ARG . 79.5 p -63.57 -45.12 91.91 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.011 -177.355 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . 0.625 ' HB2' HD21 ' A' ' 416' ' ' LEU . 35.3 mmtp -67.09 -30.18 70.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.125 0.488 . . . . 0.0 110.523 178.825 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 426' ' ' GLU . . . . . 0.622 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 37.1 tt0 -73.62 -40.66 63.64 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.038 -177.099 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 423' ' ' LEU . 5.8 mm-40 -65.26 -27.15 68.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.285 0.564 . . . . 0.0 109.564 174.624 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 428' ' ' ARG . . . . . 0.513 ' HG3' ' O ' ' A' ' 424' ' ' SER . 93.1 mtt180 -73.33 -45.43 55.31 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.203 -179.763 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.673 ' HB3' ' CD1' ' A' ' 412' ' ' LEU . 4.0 pp -64.52 -36.13 83.2 Favored 'General case' 0 CA--C 1.51 -0.583 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.098 -178.93 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -76.12 -27.7 57.18 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.066 179.288 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.52 ' O ' HG13 ' A' ' 435' ' ' ILE . 10.0 tp10 -64.98 -58.13 6.91 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.944 177.828 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 17.3 m -64.13 -30.69 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.723 179.701 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -66.22 -49.27 67.8 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 178.888 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 434' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -71.08 -22.06 62.15 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.057 -177.671 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 435' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 431' ' ' GLU . 79.7 mt -71.07 -57.99 6.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.215 173.361 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . 0.682 HD22 HG13 ' A' ' 402' ' ' ILE . 4.5 pp -60.73 -30.02 69.72 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.704 0.288 . . . . 0.0 110.698 -179.742 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 0.628 ' O ' ' HG2' ' A' ' 441' ' ' ARG . 90.7 m -69.01 -59.65 2.9 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.686 176.542 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.35 -38.03 82.53 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 120.852 0.358 . . . . 0.0 110.951 -177.444 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 44.8 tp -59.66 -58.52 8.23 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.088 -179.224 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 440' ' ' LYS . . . . . 0.485 ' HB3' HG13 ' A' ' 398' ' ' ILE . 16.2 pttp -62.45 -29.46 70.54 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.722 0.296 . . . . 0.0 111.635 -174.402 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 441' ' ' ARG . . . . . 0.628 ' HG2' ' O ' ' A' ' 437' ' ' THR . 9.8 mmm180 -76.11 -51.47 12.15 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.401 178.679 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . 0.524 ' O ' ' HA ' ' A' ' 446' ' ' ALA . 4.7 mptp? -74.25 -7.56 53.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.999 0.428 . . . . 0.0 111.528 -178.541 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.491 HD22 HE21 ' A' ' 395' ' ' GLN . 8.6 tt -94.43 -36.02 12.08 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.187 177.985 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -88.8 -52.3 5.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.093 0.473 . . . . 0.0 110.549 179.696 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -88.14 -32.48 18.63 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.25 -177.223 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . 0.524 ' HA ' ' O ' ' A' ' 442' ' ' LYS . . . . . . . . 0 C--O 1.245 0.827 0 O-C-N 124.396 1.06 . . . . 0.0 110.716 -176.075 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.474 0 N-CA-C 111.638 -0.585 . . . . 0.0 111.638 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 12.9 p -146.12 162.79 37.17 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.58 0.228 . . . . 0.0 111.063 -177.62 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -83.78 60.18 5.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.15 0.5 . . . . 0.0 110.113 179.949 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 3.3 p -88.07 73.51 9.03 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.437 0.637 . . . . 0.0 111.674 -174.856 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . 0.648 ' NE2' ' HB2' ' A' ' 444' ' ' ARG . 7.6 tp-100 -70.56 -31.96 69.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.547 177.804 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -70.0 -11.61 61.01 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.997 173.228 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.67 -61.14 6.49 Favored Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.264 176.162 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.475 ' HB ' HD23 ' A' ' 439' ' ' LEU . 0.0 OUTLIER -66.21 -30.02 48.57 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.669 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 178.234 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.832 ' HA ' ' HE3' ' A' ' 399' ' ' LYS . 0.2 OUTLIER -55.26 -57.08 13.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.135 0.493 . . . . 0.0 110.757 176.731 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . 0.669 ' HG3' HH21 ' A' ' 403' ' ' ARG . 33.5 tt0 -72.09 -42.28 66.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.092 -179.287 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -65.53 -31.59 72.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.505 -179.172 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 402' ' ' ILE . . . . . 0.617 HG22 ' O ' ' A' ' 399' ' ' LYS . 11.1 tt -70.08 -34.33 58.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.424 -0.511 . . . . 0.0 110.081 178.399 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.669 HH21 ' HG3' ' A' ' 400' ' ' GLU . 53.3 mtm180 -59.11 -48.64 80.87 Favored 'General case' 0 CA--C 1.519 -0.212 0 C-N-CA 120.568 -0.453 . . . . 0.0 109.851 173.197 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -68.06 -46.67 70.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.153 -178.347 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 405' ' ' GLN . . . . . 0.587 ' O ' HD23 ' A' ' 408' ' ' LEU . 23.2 mt-30 -68.95 -46.22 68.74 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.849 -176.09 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -64.15 -27.53 69.14 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.995 0.426 . . . . 0.0 110.357 176.458 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.596 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 6.6 t80 -65.5 -57.72 7.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.323 -179.616 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.587 HD23 ' O ' ' A' ' 405' ' ' GLN . 1.3 pt? -76.29 -25.75 55.2 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 119.851 -0.74 . . . . 0.0 110.253 -178.084 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 409' ' ' LEU . . . . . 0.708 HD12 HG23 ' A' ' 432' ' ' VAL . 6.5 tt -58.81 -51.02 71.77 Favored 'General case' 0 C--O 1.223 -0.309 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 174.401 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 410' ' ' ASN . . . . . 0.539 ' C ' HD22 ' A' ' 410' ' ' ASN . 0.1 OUTLIER -57.59 -40.84 79.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.639 176.874 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 39.3 m -63.75 -60.96 2.64 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.404 179.908 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 4.5 pp -67.34 -18.34 65.12 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 120.853 0.359 . . . . 0.0 111.316 -177.662 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . 0.423 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 19.9 t-160 -65.76 -38.64 89.62 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 172.446 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -79.81 -15.11 58.07 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.863 178.433 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -72.94 0.52 10.98 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.859 0.361 . . . . 0.0 110.393 171.208 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.686 HD21 ' HB2' ' A' ' 425' ' ' LYS . 90.2 mt -102.37 -12.11 18.15 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.978 0.418 . . . . 0.0 109.874 174.222 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -107.59 159.15 16.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.233 0.539 . . . . 0.0 112.127 -170.692 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 89.71 11.26 64.08 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.64 179.213 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 91.33 46.49 3.78 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.166 -179.132 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 49.6 mt -108.89 127.83 65.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 179.042 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -90.53 97.76 11.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.044 0.449 . . . . 0.0 109.936 176.456 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . 0.513 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 10.2 t70 -153.46 132.45 12.52 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.966 -178.41 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 86.3 mt -112.68 -18.79 12.26 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.112 0.482 . . . . 0.0 110.3 177.741 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 47.6 p -67.21 -38.76 85.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.197 -176.869 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . 0.686 ' HB2' HD21 ' A' ' 416' ' ' LEU . 1.8 mmpp? -65.24 -32.13 73.64 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 120.837 0.351 . . . . 0.0 110.221 -179.896 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 426' ' ' GLU . . . . . 0.575 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 35.7 tt0 -67.15 -46.69 73.28 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.815 -178.404 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -63.38 -30.17 71.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.282 175.363 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -75.88 -41.09 53.17 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.8 -177.401 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.5 pp -66.55 -32.8 74.37 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.136 178.287 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -78.66 -26.93 45.17 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 177.977 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.587 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 39.5 tt0 -66.54 -54.65 21.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.562 178.867 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.708 HG23 HD12 ' A' ' 409' ' ' LEU . 29.5 m -68.09 -29.82 45.92 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 CA-C-O 120.805 0.336 . . . . 0.0 110.847 179.306 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -67.59 -48.43 66.87 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.483 179.95 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 434' ' ' ARG . . . . . 0.587 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 16.5 ptm180 -64.14 -31.16 72.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.589 -178.223 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 435' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 431' ' ' GLU . 86.2 mt -69.04 -54.83 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.037 178.992 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . 0.575 HD22 HG13 ' A' ' 402' ' ' ILE . 4.4 pp -62.09 -33.07 73.76 Favored 'General case' 0 C--N 1.334 -0.096 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.837 -178.926 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 0.528 ' O ' ' HG2' ' A' ' 441' ' ' ARG . 54.1 m -71.04 -54.88 9.61 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.77 179.569 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -64.92 -34.38 78.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.903 -175.46 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.475 HD23 ' HB ' ' A' ' 398' ' ' ILE . 50.9 tp -65.7 -54.9 21.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.635 -178.319 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 440' ' ' LYS . . . . . . . . . . . . . 58.2 pttt -61.53 -32.06 72.11 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 121.317 0.58 . . . . 0.0 110.663 -177.184 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 441' ' ' ARG . . . . . 0.528 ' HG2' ' O ' ' A' ' 437' ' ' THR . 37.3 mmt180 -68.54 -52.53 30.97 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.751 179.693 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.13 7.85 23.23 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -176.375 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 16.1 tp -127.18 -1.53 6.4 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.269 178.246 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . 0.648 ' HB2' ' NE2' ' A' ' 395' ' ' GLN . 60.7 ttt-85 -138.24 -51.49 0.59 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.712 0.291 . . . . 0.0 111.098 178.047 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . 0.476 ' HG3' HH11 ' A' ' 441' ' ' ARG . 4.6 mm-40 -75.77 -22.65 56.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.566 -176.409 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.518 -0.753 . . . . 0.0 110.266 178.376 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.571 0 N-CA-C 111.778 -0.529 . . . . 0.0 111.778 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 44.9 m 63.76 -161.7 0.29 Allowed 'General case' 0 C--O 1.234 0.281 0 C-N-CA 122.575 0.35 . . . . 0.0 111.721 177.068 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.11 102.19 0.05 Allowed 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.086 -178.128 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 5.6 m -130.32 107.89 9.6 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.411 175.282 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . 0.533 ' O ' ' HB2' ' A' ' 399' ' ' LYS . 14.1 mm100 -66.87 -33.12 74.9 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.453 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -70.1 -10.78 59.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.529 174.49 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -69.09 -69.23 1.43 Allowed Glycine 0 N--CA 1.442 -0.905 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.647 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -64.84 -28.33 44.56 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.096 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.782 ' HA ' ' HE2' ' A' ' 399' ' ' LYS . 0.0 OUTLIER -58.61 -58.26 9.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.076 0.465 . . . . 0.0 110.914 178.833 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . 0.676 ' HG3' HH21 ' A' ' 403' ' ' ARG . 34.3 tt0 -71.73 -42.62 67.08 Favored 'General case' 0 C--O 1.241 0.627 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.679 -177.658 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 401' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 47.8 mt-10 -61.71 -42.65 99.23 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.6 179.085 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 402' ' ' ILE . . . . . 0.647 HD12 HD11 ' A' ' 398' ' ' ILE . 9.5 tt -64.59 -28.69 45.4 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.256 0 C-N-CA 120.953 -0.299 . . . . 0.0 110.545 -177.805 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.676 HH21 ' HG3' ' A' ' 400' ' ' GLU . 81.8 mtm180 -57.53 -48.86 78.15 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 120.139 -0.624 . . . . 0.0 109.344 172.408 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -72.29 -39.92 67.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.245 178.52 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 405' ' ' GLN . . . . . 0.555 ' HB2' ' HA ' ' A' ' 402' ' ' ILE . 95.8 mt-30 -64.41 -50.16 68.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.3 -177.628 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . 0.472 ' HG2' HG12 ' A' ' 402' ' ' ILE . 6.8 mm-40 -66.71 -27.73 67.87 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.004 0.431 . . . . 0.0 109.98 177.234 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.613 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.5 t80 -66.15 -51.25 59.63 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.937 177.971 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.785 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.9 pp -70.42 -33.97 71.97 Favored 'General case' 0 C--O 1.221 -0.413 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.346 178.243 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 409' ' ' LEU . . . . . 0.605 ' HA ' HD12 ' A' ' 412' ' ' LEU . 28.9 tp -57.39 -41.1 79.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.396 0.617 . . . . 0.0 109.772 175.216 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -57.57 -48.8 78.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.817 -1.083 . . . . 0.0 110.795 178.529 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 35.0 p -67.65 -42.94 81.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.658 -177.967 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.785 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 15.2 mt -55.44 -44.61 76.5 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-O 121.721 0.772 . . . . 0.0 109.83 175.6 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . 0.512 ' HD2' HD22 ' A' ' 429' ' ' LEU . 32.5 m170 -62.5 -45.04 94.83 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.477 -1.238 . . . . 0.0 111.72 178.268 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 414' ' ' ARG . . . . . 0.409 ' HA ' ' HG2' ' A' ' 417' ' ' GLN . 47.0 mtp180 -79.14 -1.65 37.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.742 0.306 . . . . 0.0 111.306 -178.738 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -102.16 7.74 40.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.305 0.574 . . . . 0.0 109.706 177.957 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 412' ' ' LEU . 74.9 mt -115.54 -48.46 2.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.807 175.479 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . 0.409 ' HG2' ' HA ' ' A' ' 414' ' ' ARG . 13.4 pt20 -69.23 138.43 53.99 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.908 -178.29 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 110.41 12.82 16.28 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.875 -0.679 . . . . 0.0 111.421 -175.032 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 84.69 36.57 11.6 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 121.095 -0.574 . . . . 0.0 112.464 179.606 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 15.9 mm -108.01 134.45 49.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 -178.877 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -115.29 94.65 4.82 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.092 0.472 . . . . 0.0 110.905 178.619 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -125.22 116.88 22.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.53 177.679 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.6 mp -82.93 -33.95 26.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.9 -175.079 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . 0.49 ' O ' ' HB2' ' A' ' 428' ' ' ARG . 8.6 t -65.85 -44.96 83.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.838 -176.022 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . . . . . . . . . 43.7 mttp -75.28 -29.09 60.01 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 121.151 -0.22 . . . . 0.0 110.489 179.535 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 426' ' ' GLU . . . . . 0.637 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 40.9 tt0 -63.46 -50.06 71.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.302 0.573 . . . . 0.0 110.48 178.91 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -72.3 -23.96 61.26 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.122 177.756 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 428' ' ' ARG . . . . . 0.49 ' HB2' ' O ' ' A' ' 424' ' ' SER . 47.5 ttt180 -74.02 -46.55 42.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.406 -178.273 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.637 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.1 pp -60.09 -35.59 75.55 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.12 176.791 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -74.11 -32.64 63.29 Favored 'General case' 0 N--CA 1.445 -0.716 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.489 178.428 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.495 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 11.3 tp10 -62.21 -56.33 19.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.909 178.217 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.523 HG21 HD11 ' A' ' 408' ' ' LEU . 13.3 p -66.4 -33.0 60.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.918 -178.942 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . 0.481 ' HB2' ' O ' ' A' ' 429' ' ' LEU . 7.2 tt0 -63.67 -45.99 87.58 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-O 120.798 0.332 . . . . 0.0 110.297 -177.435 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 434' ' ' ARG . . . . . 0.495 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 32.0 ptt180 -67.91 -32.09 72.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.523 -178.515 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 435' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 431' ' ' GLU . 76.8 mt -69.1 -57.12 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 121.127 -0.229 . . . . 0.0 111.243 178.89 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . 0.452 HD12 ' N ' ' A' ' 437' ' ' THR . 4.4 pp -58.06 -34.68 70.38 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.672 0.272 . . . . 0.0 110.899 -178.719 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 0.553 ' O ' ' HG2' ' A' ' 441' ' ' ARG . 58.2 m -70.62 -57.35 4.82 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.623 177.981 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.11 -38.96 84.57 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.755 0.312 . . . . 0.0 111.248 -175.675 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.439 HD23 ' HB ' ' A' ' 398' ' ' ILE . 39.8 tp -65.5 -54.5 27.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.2 -176.961 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 440' ' ' LYS . . . . . 0.466 ' HB3' HG13 ' A' ' 398' ' ' ILE . 61.5 pttt -63.67 -29.92 71.09 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.923 0.392 . . . . 0.0 110.94 -175.448 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 441' ' ' ARG . . . . . 0.553 ' HG2' ' O ' ' A' ' 437' ' ' THR . 34.9 mmt180 -73.91 -48.97 27.06 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.852 -179.027 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -66.18 -27.23 67.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.817 178.396 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 21.6 tp -80.31 -23.36 40.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.426 -177.735 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -103.82 -39.68 6.55 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -179.38 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -84.48 26.74 0.76 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.004 0.43 . . . . 0.0 111.359 -175.52 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.872 0 CA-C-O 118.762 -0.637 . . . . 0.0 110.055 176.085 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.574 0 N-CA-C 111.732 -0.547 . . . . 0.0 111.732 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 67.1 m 69.52 142.56 0.04 OUTLIER 'General case' 0 C--O 1.233 0.194 0 C-N-CA 123.178 0.591 . . . . 0.0 110.877 -175.298 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 9.5 mp0 -60.5 152.18 26.54 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.852 -179.595 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 17.2 p -73.17 74.41 1.27 Allowed 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.986 0.735 . . . . 0.0 112.986 -173.462 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -74.85 -33.63 62.17 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 173.339 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -68.71 -21.48 64.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.805 171.978 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.58 -55.33 23.52 Favored Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.936 177.981 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.562 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -67.69 -34.47 68.06 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.863 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 177.187 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.511 ' O ' HG22 ' A' ' 402' ' ' ILE . 0.3 OUTLIER -61.03 -49.71 76.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.826 0.346 . . . . 0.0 111.703 -177.676 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -68.17 -46.92 69.39 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.309 0.576 . . . . 0.0 110.172 179.786 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 401' ' ' GLU . . . . . 0.513 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 5.7 mm-40 -65.58 -37.22 86.05 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.608 -0.723 . . . . 0.0 111.593 -178.981 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 402' ' ' ILE . . . . . 0.562 HD12 HD11 ' A' ' 398' ' ' ILE . 12.0 tt -68.17 -30.22 47.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -177.739 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.673 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 97.6 mtt180 -62.61 -43.28 99.19 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 173.928 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . 0.507 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 64.3 mtt85 -67.04 -49.24 65.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.918 175.23 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 405' ' ' GLN . . . . . 0.513 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 49.0 mt-30 -58.9 -58.88 6.67 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.004 -178.978 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -60.62 -27.04 67.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.752 0.31 . . . . 0.0 110.747 -179.645 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.673 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 6.6 t80 -63.51 -60.05 3.86 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.977 178.073 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.633 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.2 pp -70.58 -29.21 65.58 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 -179.336 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 409' ' ' LEU . . . . . 0.557 ' HG ' ' HB2' ' A' ' 429' ' ' LEU . 7.9 tt -60.57 -47.23 87.09 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 176.391 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 410' ' ' ASN . . . . . 0.455 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 11.0 t30 -61.92 -42.49 99.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.229 177.472 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 22.2 m -59.86 -52.87 63.6 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.855 179.653 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.679 ' HB2' ' HB3' ' A' ' 425' ' ' LYS . 3.9 pp -75.59 -18.88 59.59 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.309 -0.557 . . . . 0.0 111.208 -178.751 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . 0.424 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 18.5 t-160 -67.14 -43.04 83.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.057 0.456 . . . . 0.0 109.862 175.202 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 414' ' ' ARG . . . . . 0.455 ' HG2' ' O ' ' A' ' 410' ' ' ASN . 11.3 ptm180 -80.11 -13.66 59.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 177.811 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 415' ' ' ASP . . . . . 0.458 ' HB2' ' HA ' ' A' ' 412' ' ' LEU . 15.1 t70 -65.75 -23.59 66.76 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.549 0.69 . . . . 0.0 110.016 174.688 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.744 HD21 ' HB2' ' A' ' 425' ' ' LYS . 24.9 mt -79.25 -6.46 56.68 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.999 -179.194 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -125.58 177.66 6.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.894 0.378 . . . . 0.0 111.506 -172.73 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 89.07 16.96 57.01 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.156 -0.545 . . . . 0.0 112.231 -177.208 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 96.89 28.55 8.69 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.783 -178.766 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 48.5 mm -113.2 141.91 27.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 -178.179 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 20.4 pttm -111.26 80.06 1.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.781 0.801 . . . . 0.0 110.395 175.373 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . 0.46 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 11.1 t70 -119.64 137.79 53.66 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.535 179.464 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -120.38 -7.17 9.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.142 0.496 . . . . 0.0 110.507 176.226 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 38.6 m -73.84 -40.42 63.32 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.178 -177.296 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . 0.744 ' HB2' HD21 ' A' ' 416' ' ' LEU . 28.1 mmtm -69.44 -30.43 68.35 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 178.957 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 426' ' ' GLU . . . . . 0.597 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 8.4 tp10 -65.33 -49.69 68.46 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.934 -177.686 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -69.84 -27.21 64.66 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.966 178.594 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 428' ' ' ARG . . . . . 0.487 ' O ' HG23 ' A' ' 432' ' ' VAL . 22.8 tpt180 -74.42 -45.44 46.51 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.219 -178.087 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.637 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.3 pp -62.13 -35.84 79.97 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.347 -179.965 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -68.61 -33.42 74.01 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.163 179.487 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.535 ' HG3' ' HE ' ' A' ' 434' ' ' ARG . 35.9 tt0 -68.82 -43.95 74.51 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.088 175.277 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 428' ' ' ARG . 61.0 t -59.13 -47.46 90.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.289 0.566 . . . . 0.0 109.981 175.142 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -61.9 -43.9 97.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.651 -178.393 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 434' ' ' ARG . . . . . 0.535 ' HE ' ' HG3' ' A' ' 431' ' ' GLU . 36.3 ptt180 -68.06 -25.08 65.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.646 -176.887 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 435' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 431' ' ' GLU . 74.1 mt -76.06 -56.69 7.73 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-N 116.822 -0.172 . . . . 0.0 110.868 177.853 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . 0.429 HD12 ' N ' ' A' ' 437' ' ' THR . 3.8 pp -60.73 -32.49 71.76 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.505 0.193 . . . . 0.0 111.24 -178.434 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 0.689 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 79.0 m -69.54 -54.38 14.4 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.75 177.296 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . 0.531 ' O ' ' HD2' ' A' ' 442' ' ' LYS . . . -63.05 -38.97 93.3 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.763 -0.199 . . . . 0.0 110.766 -177.54 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.5 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 36.1 tp -59.84 -54.69 43.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.134 -177.207 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 440' ' ' LYS . . . . . 0.689 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 62.5 pttt -62.85 -33.58 75.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.811 0.338 . . . . 0.0 111.243 -177.266 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -72.9 -50.23 24.96 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.681 -179.801 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . 0.531 ' HD2' ' O ' ' A' ' 438' ' ' ALA . 0.7 OUTLIER -67.99 -20.21 65.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.775 -177.097 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 77.8 mt -87.82 -33.91 18.44 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.559 179.745 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -94.12 -43.3 8.55 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -175.895 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -87.06 24.15 1.61 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.425 -172.175 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.86 0 CA-C-O 118.686 -0.674 . . . . 0.0 110.638 179.839 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.675 0 N-CA-C 111.946 -0.462 . . . . 0.0 111.946 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 36.3 m 59.32 35.37 23.22 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.412 0.625 . . . . 0.0 110.368 -176.469 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -138.0 141.9 40.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.323 -175.712 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 11.6 m -148.16 112.29 5.2 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.65 -0.25 . . . . 0.0 110.529 174.711 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -64.87 -33.48 76.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.108 0.48 . . . . 0.0 110.004 176.148 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -69.07 -15.29 63.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.343 174.46 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.62 -56.37 19.73 Favored Glycine 0 N--CA 1.447 -0.595 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.409 178.162 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.51 ' CD1' ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -69.7 -29.22 40.29 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.859 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 177.066 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.453 ' O ' HG22 ' A' ' 402' ' ' ILE . 0.6 OUTLIER -57.95 -53.21 60.86 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.871 -0.332 . . . . 0.0 111.693 -178.905 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . 0.507 ' HA ' ' HD3' ' A' ' 403' ' ' ARG . 0.4 OUTLIER -71.71 -39.36 70.21 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 177.453 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 401' ' ' GLU . . . . . 0.443 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 18.9 mm-40 -59.1 -47.93 83.47 Favored 'General case' 0 C--O 1.224 -0.27 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.61 178.713 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 402' ' ' ILE . . . . . 0.453 HG22 ' O ' ' A' ' 399' ' ' LYS . 12.5 tt -65.38 -29.56 47.55 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.469 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -177.424 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.578 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 26.8 mtp85 -58.99 -44.94 91.71 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.759 -0.377 . . . . 0.0 110.112 172.542 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . 0.491 ' HG2' ' O ' ' A' ' 400' ' ' GLU . 9.8 mmm180 -75.07 -42.62 56.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.111 0.481 . . . . 0.0 110.298 179.786 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 405' ' ' GLN . . . . . 0.443 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 74.4 mt-30 -67.39 -47.73 69.48 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.499 -177.349 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . 0.423 ' HG2' HG12 ' A' ' 402' ' ' ILE . 60.7 mm-40 -63.85 -30.9 71.94 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 176.261 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.578 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 1.4 t80 -57.99 -56.65 19.27 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.88 177.84 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.507 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.5 pp -74.51 -30.76 61.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.355 -179.671 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 409' ' ' LEU . . . . . 0.495 ' N ' HD12 ' A' ' 408' ' ' LEU . 6.6 tt -60.53 -47.85 84.34 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 177.876 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -60.53 -40.95 93.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.216 177.974 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . 0.446 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 23.0 t -63.16 -57.41 10.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.77 179.227 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.605 ' HA ' ' OD1' ' A' ' 415' ' ' ASP . 4.5 pp -67.66 -17.09 64.47 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 122.017 -0.427 . . . . 0.0 111.379 -178.834 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -71.78 -37.67 70.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.657 0.265 . . . . 0.0 110.599 174.01 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 414' ' ' ARG . . . . . 0.617 ' O ' ' HG3' ' A' ' 417' ' ' GLN . 12.3 ptm180 -85.26 -1.88 57.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.805 0.336 . . . . 0.0 111.208 179.392 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 415' ' ' ASP . . . . . 0.605 ' OD1' ' HA ' ' A' ' 412' ' ' LEU . 1.1 m-20 -61.47 -28.01 68.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.403 165.347 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 3.5 mp -90.62 43.79 1.16 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.949 -178.661 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . 0.617 ' HG3' ' O ' ' A' ' 414' ' ' ARG . 48.6 mt-30 -62.5 165.81 5.84 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.963 0.411 . . . . 0.0 111.424 175.444 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -65.95 117.65 10.13 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.064 179.392 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 109.45 -11.84 33.26 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 121.14 -0.552 . . . . 0.0 111.851 -178.125 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 31.0 mm -97.67 133.04 41.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.754 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -115.56 100.82 8.34 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.823 0.344 . . . . 0.0 110.167 178.369 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . 0.646 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 10.3 t70 -146.32 122.58 10.89 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 177.281 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 93.6 mt -94.2 -19.72 20.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.025 0.441 . . . . 0.0 111.105 -176.439 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 68.4 m -72.56 -32.25 65.91 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -176.01 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . 0.646 ' HG2' ' OD1' ' A' ' 422' ' ' ASP . 52.1 mmtt -59.68 -36.88 77.36 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.113 0.482 . . . . 0.0 110.416 178.328 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 426' ' ' GLU . . . . . 0.559 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 40.7 tt0 -77.66 -42.43 34.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.078 -175.238 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -62.61 -32.46 73.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.411 0.624 . . . . 0.0 109.701 174.672 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 428' ' ' ARG . . . . . 0.552 ' O ' HG23 ' A' ' 432' ' ' VAL . 23.9 ttm180 -75.6 -45.06 39.72 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.802 -177.561 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.6 pp -60.63 -33.43 72.76 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.52 179.258 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 430' ' ' TRP . . . . . 0.457 ' N ' HD12 ' A' ' 429' ' ' LEU . 2.2 t90 -75.27 -33.08 61.23 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 120.12 -0.632 . . . . 0.0 110.326 178.52 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -59.01 -51.76 68.7 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 174.553 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 428' ' ' ARG . 32.6 t -58.69 -48.95 84.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.556 178.212 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -62.07 -44.25 97.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.242 -175.818 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 434' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -70.36 -24.66 63.01 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.788 -175.757 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 435' ' ' ILE . . . . . . . . . . . . . 74.8 mt -78.09 -56.21 8.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.625 -0.262 . . . . 0.0 110.683 178.029 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . 0.488 HD23 HG12 ' A' ' 432' ' ' VAL . 4.5 pp -61.47 -29.99 70.32 Favored 'General case' 0 N--CA 1.461 0.112 0 CA-C-O 120.834 0.349 . . . . 0.0 110.965 -179.241 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 0.61 ' HA ' ' NZ ' ' A' ' 440' ' ' LYS . 96.7 m -71.28 -58.42 3.55 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.645 177.369 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -58.89 -32.03 69.14 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.931 0.396 . . . . 0.0 110.981 -176.825 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.461 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 26.1 tp -66.69 -60.72 2.44 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.605 -179.756 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 440' ' ' LYS . . . . . 0.61 ' NZ ' ' HA ' ' A' ' 437' ' ' THR . 26.3 pttm -64.82 -28.34 69.49 Favored 'General case' 0 CA--C 1.517 -0.293 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.432 -175.712 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 441' ' ' ARG . . . . . 0.482 ' HG2' ' O ' ' A' ' 437' ' ' THR . 38.4 mmt180 -62.96 -60.14 3.87 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.263 178.083 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . 1.022 ' HA ' ' HA ' ' A' ' 446' ' ' ALA . 3.2 mptp? -80.17 0.1 33.74 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -174.89 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 58.7 mt -99.71 -15.54 18.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.666 0.27 . . . . 0.0 110.715 172.801 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -111.53 -65.75 1.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 0.0 111.276 179.277 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . 0.419 ' H ' ' HG2' ' A' ' 445' ' ' GLU . 8.2 pt-20 -91.84 -25.53 18.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.503 -178.038 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . 1.022 ' HA ' ' HA ' ' A' ' 442' ' ' LYS . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-N 115.012 -0.995 . . . . 0.0 112.177 175.525 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.565 0 N-CA-C 112.042 -0.423 . . . . 0.0 112.042 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 49.1 m 69.16 23.01 6.55 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.114 0.565 . . . . 0.0 112.176 177.975 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 393' ' ' GLU . 0.4 OUTLIER -101.32 106.52 17.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.624 0.726 . . . . 0.0 110.72 175.978 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -126.25 112.72 16.07 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.753 -179.037 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . 0.712 HE21 HD12 ' A' ' 443' ' ' LEU . 18.6 mm-40 -73.51 -34.86 65.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.684 175.607 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -70.75 -18.73 62.77 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.461 176.316 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.89 -57.75 14.72 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 111.409 -0.677 . . . . 0.0 111.409 179.246 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.547 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -70.44 -34.16 56.73 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.651 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 177.019 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.822 ' HA ' ' HE2' ' A' ' 399' ' ' LYS . 0.4 OUTLIER -54.57 -48.46 72.05 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.785 0.326 . . . . 0.0 111.594 -179.294 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . 0.446 ' OE1' ' HD2' ' A' ' 403' ' ' ARG . 4.7 tp10 -73.46 -47.58 40.41 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-O 121.235 0.541 . . . . 0.0 110.16 -177.74 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -60.2 -43.47 95.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.094 179.798 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 402' ' ' ILE . . . . . 0.547 HD12 HD11 ' A' ' 398' ' ' ILE . 13.2 tt -65.74 -29.39 46.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 O-C-N 123.114 0.258 . . . . 0.0 110.475 -176.964 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.605 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 62.4 mtt180 -57.74 -51.77 68.21 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 172.686 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . 0.407 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 3.3 mmp_? -68.34 -44.19 75.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.062 178.995 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 405' ' ' GLN . . . . . 0.482 ' OE1' ' HB3' ' A' ' 436' ' ' LEU . 98.7 mt-30 -61.36 -51.5 68.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.702 -177.694 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . 0.449 ' HG3' HG12 ' A' ' 402' ' ' ILE . 48.2 mt-10 -69.73 -23.03 63.34 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.693 179.617 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.605 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.8 t80 -68.56 -50.25 53.27 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 176.741 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.762 HD11 HG11 ' A' ' 432' ' ' VAL . 3.5 pp -73.43 -27.68 61.57 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.593 177.617 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 409' ' ' LEU . . . . . 0.405 ' N ' HD12 ' A' ' 408' ' ' LEU . 8.0 tt -64.98 -42.69 94.31 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 174.328 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 410' ' ' ASN . . . . . 0.526 ' O ' ' HG3' ' A' ' 414' ' ' ARG . 2.3 t-20 -60.74 -47.86 84.38 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.198 172.714 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 23.0 t -56.8 -54.64 44.1 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.689 179.322 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.872 HD11 ' HB3' ' A' ' 429' ' ' LEU . 4.5 pp -65.95 -24.37 66.79 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 120.765 0.317 . . . . 0.0 111.402 -178.468 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . 0.42 ' N ' HD12 ' A' ' 412' ' ' LEU . 1.9 m170 -68.04 -36.33 79.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.778 0.323 . . . . 0.0 110.65 173.412 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 414' ' ' ARG . . . . . 0.526 ' HG3' ' O ' ' A' ' 410' ' ' ASN . 67.8 mtt180 -68.97 -23.87 64.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.99 176.88 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -76.88 -26.06 53.78 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.476 175.969 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.513 HD21 ' HB2' ' A' ' 425' ' ' LYS . 58.3 mt -85.54 -47.83 9.51 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -175.724 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -78.08 141.11 39.01 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.447 0.642 . . . . 0.0 111.125 -174.492 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 117.15 21.11 4.59 Favored Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.333 -0.849 . . . . 0.0 112.392 -177.375 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 79.52 27.92 53.39 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.383 179.175 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 25.9 mm -97.97 126.38 50.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.942 0.401 . . . . 0.0 110.599 -177.885 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -96.6 89.23 4.9 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.926 0.393 . . . . 0.0 110.092 177.021 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . 0.673 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 9.8 t70 -127.82 132.85 49.41 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.531 178.988 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 70.1 mt -105.2 -18.23 14.2 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.945 0.402 . . . . 0.0 110.706 -176.955 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 44.4 t -67.41 -46.27 73.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.347 -177.326 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . 0.673 ' HD3' ' OD1' ' A' ' 422' ' ' ASP . 11.3 mptt -64.21 -27.03 68.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.675 -179.821 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 426' ' ' GLU . . . . . 0.564 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 34.4 tt0 -69.29 -51.42 37.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.018 0.437 . . . . 0.0 110.507 -177.506 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -68.17 -23.02 64.81 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.387 178.429 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -74.83 -48.27 26.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.122 178.43 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.872 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.5 pp -63.48 -31.67 72.9 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.175 -179.551 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -76.47 -29.81 57.04 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.404 -179.962 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.469 ' O ' HG13 ' A' ' 435' ' ' ILE . 9.4 tp10 -66.03 -58.05 6.38 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.06 0.457 . . . . 0.0 109.772 178.559 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.762 HG11 HD11 ' A' ' 408' ' ' LEU . 28.3 m -63.8 -29.6 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.947 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . 0.442 ' HB2' ' O ' ' A' ' 429' ' ' LEU . 8.4 tt0 -65.24 -52.73 52.68 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.473 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 434' ' ' ARG . . . . . . . . . . . . . 40.4 ptt180 -67.71 -23.18 65.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.962 -176.074 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 435' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 431' ' ' GLU . 81.7 mt -76.01 -56.49 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.714 -0.221 . . . . 0.0 110.476 176.022 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . 0.482 ' HB3' ' OE1' ' A' ' 405' ' ' GLN . 4.5 pp -61.15 -35.21 76.47 Favored 'General case' 0 N--CA 1.457 -0.093 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.323 -179.023 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 88.3 m -66.68 -60.98 2.22 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.559 177.39 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -58.27 -42.21 86.01 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.224 -174.591 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.629 ' O ' ' HB2' ' A' ' 443' ' ' LEU . 45.4 tp -63.24 -57.96 8.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.255 -176.609 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 440' ' ' LYS . . . . . 0.474 ' HB3' HG13 ' A' ' 398' ' ' ILE . 17.1 pttp -67.03 -28.44 68.23 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.699 0.285 . . . . 0.0 111.699 -173.575 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 27.7 mmm180 -71.57 -48.62 47.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.591 -179.822 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -74.26 -13.51 60.78 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.952 0.405 . . . . 0.0 110.983 178.332 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.712 HD12 HE21 ' A' ' 395' ' ' GLN . 0.2 OUTLIER -88.47 -51.48 5.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.789 -177.516 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 48.4 ttt85 -91.57 -34.58 14.68 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -173.004 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -81.33 24.58 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.873 0.368 . . . . 0.0 111.763 -173.416 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.816 0 CA-C-O 118.243 -0.884 . . . . 0.0 109.862 177.854 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.705 0 N-CA-C 111.849 -0.501 . . . . 0.0 111.849 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 22.0 p -82.0 -18.2 44.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.702 0.287 . . . . 0.0 110.544 177.987 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . 0.416 ' H ' HD11 ' A' ' 443' ' ' LEU . 4.3 mm-40 62.53 18.61 10.58 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.131 178.58 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 2.2 p -86.09 93.68 9.06 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.849 -177.344 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . 0.667 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 24.5 mm-40 -64.51 -36.21 83.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.978 0.418 . . . . 0.0 109.9 174.032 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -66.45 -16.01 63.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.377 176.181 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -65.73 -56.8 12.94 Favored Glycine 0 N--CA 1.448 -0.567 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.744 178.1 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -25.61 36.42 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.759 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.299 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.667 ' HG2' ' O ' ' A' ' 395' ' ' GLN . 31.9 mmtp -59.83 -50.21 74.68 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.598 176.7 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 404' ' ' ARG . 9.3 tt0 -65.85 -49.46 68.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.065 0.46 . . . . 0.0 109.811 176.27 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -60.21 -43.18 96.2 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.715 -175.857 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 402' ' ' ILE . . . . . 0.659 HG13 HD22 ' A' ' 436' ' ' LEU . 11.6 tt -67.43 -34.15 66.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 120.996 -0.282 . . . . 0.0 110.596 -177.804 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.614 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 98.4 mtt180 -63.11 -39.96 96.22 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.2 178.001 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 400' ' ' GLU . 13.6 ptm180 -86.21 -26.12 25.24 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.719 -178.66 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 405' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -76.16 -47.08 25.58 Favored 'General case' 0 C--O 1.223 -0.335 0 O-C-N 122.315 -0.241 . . . . 0.0 110.473 174.568 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -64.84 -24.72 67.63 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 174.597 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.614 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.2 t80 -60.81 -58.36 8.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.584 -0.734 . . . . 0.0 109.551 175.56 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.476 HD12 ' N ' ' A' ' 409' ' ' LEU . 2.4 pp -72.16 -28.21 63.08 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.083 -179.822 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 409' ' ' LEU . . . . . 0.61 ' O ' ' HB2' ' A' ' 413' ' ' HIS . 7.7 tt -62.63 -44.74 95.52 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 175.85 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.74 -48.52 80.91 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.686 174.103 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 22.5 m -59.57 -50.96 71.88 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.061 -178.596 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.898 HD11 ' HB3' ' A' ' 429' ' ' LEU . 4.4 pp -66.32 -32.2 73.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.983 0.42 . . . . 0.0 110.423 179.046 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . 0.61 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 3.3 t-160 -65.27 -38.13 89.34 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.443 179.172 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 32.4 mmt-85 -81.96 -11.72 58.72 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.824 179.272 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -77.09 -15.99 59.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.509 175.47 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.861 HD21 ' HB2' ' A' ' 425' ' ' LYS . 37.8 mt -89.94 -44.36 9.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.245 179.318 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -76.36 146.35 38.82 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.234 0.54 . . . . 0.0 111.174 -173.236 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 110.81 1.41 28.81 Favored Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -176.638 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 96.03 33.34 6.36 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 121.281 -0.485 . . . . 0.0 112.472 179.63 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 15.3 mm -103.06 121.41 54.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 122.684 -0.304 . . . . 0.0 110.276 -179.304 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -95.05 80.82 3.64 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.998 0.428 . . . . 0.0 111.219 179.388 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . 0.577 ' OD2' ' HG2' ' A' ' 425' ' ' LYS . 34.8 t70 -124.6 107.39 10.97 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.034 173.943 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 9.0 mp -78.95 -13.2 59.93 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.542 -178.676 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 2.1 m -57.84 -51.01 71.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.646 -179.631 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . 0.861 ' HB2' HD21 ' A' ' 416' ' ' LEU . 33.1 mmtm -63.96 -26.99 68.83 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-O 120.761 0.315 . . . . 0.0 111.081 -178.471 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 426' ' ' GLU . . . . . 0.623 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 38.7 tt0 -70.92 -46.12 63.05 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.076 0.465 . . . . 0.0 110.464 -175.31 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -64.15 -33.2 75.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.292 0.567 . . . . 0.0 109.793 175.448 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 428' ' ' ARG . . . . . 0.532 ' O ' HG22 ' A' ' 432' ' ' VAL . 35.4 mmt180 -74.07 -42.64 59.87 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.055 -177.27 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.898 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.2 pp -61.19 -35.68 77.82 Favored 'General case' 0 CA--C 1.518 -0.256 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.73 179.863 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -78.56 -27.73 45.85 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 119.935 -0.706 . . . . 0.0 110.424 178.836 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.546 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 44.1 tt0 -65.43 -58.18 6.48 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.363 -179.893 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.532 HG22 ' O ' ' A' ' 428' ' ' ARG . 3.2 m -63.55 -33.71 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.08 178.732 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -61.79 -50.36 72.65 Favored 'General case' 0 CA--C 1.516 -0.34 0 O-C-N 123.423 0.452 . . . . 0.0 110.039 179.804 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 434' ' ' ARG . . . . . 0.546 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 14.7 ptm180 -67.31 -32.39 73.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.561 -176.308 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 435' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 431' ' ' GLU . 79.2 mt -69.67 -57.62 7.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.262 179.97 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . 0.659 HD22 HG13 ' A' ' 402' ' ' ILE . 4.6 pp -60.47 -28.46 68.35 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.761 0.315 . . . . 0.0 110.946 179.762 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 0.565 ' HA ' ' NZ ' ' A' ' 440' ' ' LYS . 93.1 m -70.66 -58.22 3.88 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.75 -0.205 . . . . 0.0 110.912 176.452 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -58.4 -38.31 77.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.685 0.279 . . . . 0.0 110.814 -177.515 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 35.4 tp -63.23 -62.5 1.65 Allowed 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.118 -177.704 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 440' ' ' LYS . . . . . 0.565 ' NZ ' ' HA ' ' A' ' 437' ' ' THR . 26.1 pttm -61.85 -32.89 73.27 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.855 0.36 . . . . 0.0 111.916 -173.232 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -72.14 -53.44 12.72 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.716 -179.337 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -70.96 -28.09 64.21 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 121.21 -0.196 . . . . 0.0 111.523 -178.48 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.416 HD11 ' H ' ' A' ' 393' ' ' GLU . 26.4 tp -72.44 -31.57 65.58 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.601 0.239 . . . . 0.0 110.777 179.909 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -93.95 -49.38 5.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.887 0.375 . . . . 0.0 111.638 179.945 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -88.77 29.5 1.01 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.356 -171.571 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.894 0 CA-C-O 118.359 -0.829 . . . . 0.0 110.599 178.152 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.721 0 N-CA-C 112.274 -0.33 . . . . 0.0 112.274 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 12.0 p -122.97 22.8 9.52 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.264 0.554 . . . . 0.0 110.342 -177.794 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -104.06 22.4 14.73 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.118 -172.887 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.465 ' O ' HD13 ' A' ' 443' ' ' LEU . 1.4 p -78.42 86.74 4.45 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.265 -175.432 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . 0.431 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 0.1 OUTLIER -63.43 -39.88 95.67 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.46 0.647 . . . . 0.0 109.615 174.852 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -67.65 -12.24 60.0 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.594 177.927 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.47 -58.94 8.99 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 111.426 -0.67 . . . . 0.0 111.426 178.107 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.524 ' CD1' ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -64.64 -35.26 74.31 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.631 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.897 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.619 ' O ' ' HG3' ' A' ' 403' ' ' ARG . 34.1 mmtp -55.32 -55.03 36.15 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 120.759 0.314 . . . . 0.0 110.722 178.431 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -61.2 -54.14 47.99 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 121.301 0.572 . . . . 0.0 110.658 178.164 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 401' ' ' GLU . . . . . 0.529 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 44.3 mt-10 -58.89 -48.14 82.48 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.451 -176.586 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 402' ' ' ILE . . . . . 0.46 HD12 HD11 ' A' ' 398' ' ' ILE . 11.9 tt -64.92 -34.21 68.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 111.562 0.208 . . . . 0.0 111.562 -172.087 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.619 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 70.6 mtp180 -63.05 -40.97 99.3 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.98 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . 0.419 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 79.3 mtt180 -72.29 -40.99 67.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.538 176.582 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 405' ' ' GLN . . . . . 0.529 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 92.9 mt-30 -61.97 -55.86 25.05 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.204 179.166 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . 0.456 ' HA ' ' HB3' ' A' ' 409' ' ' LEU . 45.5 mt-10 -65.33 -23.89 67.12 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.795 -178.253 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.543 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.0 t80 -62.75 -55.07 29.97 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 174.304 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.437 HD12 ' N ' ' A' ' 409' ' ' LEU . 2.9 pp -74.58 -24.99 58.99 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.129 179.13 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 409' ' ' LEU . . . . . 0.456 ' HB3' ' HA ' ' A' ' 406' ' ' GLU . 29.2 tp -61.03 -50.15 74.52 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 174.728 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -57.11 -41.11 78.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.23 -0.896 . . . . 0.0 110.025 174.558 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 22.2 t -63.71 -51.67 63.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.163 -178.345 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.593 HD11 ' HB3' ' A' ' 429' ' ' LEU . 4.4 pp -69.1 -19.8 64.06 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -178.148 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . 0.4 ' HA ' HD12 ' A' ' 416' ' ' LEU . 3.9 m-70 -68.4 -37.44 80.37 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.098 0.475 . . . . 0.0 110.193 171.776 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -73.27 -20.51 60.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.383 175.011 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 415' ' ' ASP . . . . . 0.591 ' OD2' ' HE3' ' A' ' 425' ' ' LYS . 16.1 t70 -90.21 12.8 16.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.565 0.698 . . . . 0.0 109.741 179.202 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.614 HD21 ' HB2' ' A' ' 425' ' ' LYS . 87.3 mt -100.78 5.86 43.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.028 174.361 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -143.4 166.69 24.07 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.791 -179.084 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 122.21 -16.16 8.69 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.366 -0.921 . . . . 0.0 112.452 178.054 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 118.37 -12.16 12.56 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.277 -179.941 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 420' ' ' ILE . . . . . 0.442 ' H ' HG13 ' A' ' 420' ' ' ILE . 2.6 pp -74.96 169.8 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 CA-C-O 120.621 0.248 . . . . 0.0 110.818 178.488 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -93.62 109.05 20.69 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.276 0.56 . . . . 0.0 110.035 176.827 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -87.59 118.98 27.44 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.414 -178.109 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 5.5 mp -136.74 -65.53 0.55 Allowed 'General case' 0 C--O 1.239 0.5 0 CA-C-O 121.687 0.756 . . . . 0.0 109.579 175.13 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 13.7 m -62.53 -36.88 83.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.739 -1.118 . . . . 0.0 111.66 -174.25 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . 0.614 ' HB2' HD21 ' A' ' 416' ' ' LEU . 63.9 mmtt -63.3 -34.18 77.12 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.657 0.265 . . . . 0.0 111.129 -175.013 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 426' ' ' GLU . . . . . 0.634 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 39.4 tt0 -74.45 -45.4 46.56 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -178.432 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -65.0 -30.36 71.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.25 0.547 . . . . 0.0 110.165 176.354 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 428' ' ' ARG . . . . . 0.497 ' O ' HG23 ' A' ' 432' ' ' VAL . 14.4 tpt180 -71.61 -45.05 63.27 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.353 -179.952 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 3.8 pp -64.33 -35.14 79.9 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.986 -176.017 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -73.23 -32.9 65.03 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 121.318 0.58 . . . . 0.0 109.544 179.246 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.524 ' O ' HG13 ' A' ' 435' ' ' ILE . 42.0 tt0 -65.59 -50.1 66.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.622 174.61 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 428' ' ' ARG . 94.7 t -58.16 -46.07 88.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.385 176.979 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -62.06 -44.96 95.55 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.825 -177.311 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 434' ' ' ARG . . . . . 0.479 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 12.8 ptm180 -69.38 -24.61 63.89 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.734 -176.957 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 435' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 431' ' ' GLU . 84.5 mt -76.82 -57.05 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 C-N-CA 121.083 -0.247 . . . . 0.0 110.605 176.456 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . 0.523 ' HB3' ' OE1' ' A' ' 405' ' ' GLN . 4.4 pp -58.19 -35.86 72.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.148 -177.24 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 0.461 ' O ' ' HG2' ' A' ' 441' ' ' ARG . 32.2 m -71.14 -53.41 14.64 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.632 179.044 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -64.21 -34.99 79.37 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.737 0.304 . . . . 0.0 111.111 -176.691 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.539 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 27.4 tp -64.91 -56.16 14.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.557 -177.044 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 440' ' ' LYS . . . . . 0.524 ' HB3' ' CD1' ' A' ' 398' ' ' ILE . 58.0 pttt -63.26 -31.77 73.01 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.652 -0.419 . . . . 0.0 111.51 -178.154 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 441' ' ' ARG . . . . . 0.461 ' HG2' ' O ' ' A' ' 437' ' ' THR . 23.4 mmt180 -70.52 -39.61 73.96 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.942 0.401 . . . . 0.0 110.693 179.208 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -81.64 -6.19 58.77 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.238 179.345 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 86.9 mt -110.43 -7.51 14.77 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 179.324 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . 0.427 ' C ' ' HD3' ' A' ' 444' ' ' ARG . 4.1 tmt_? -132.06 -44.93 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.121 -178.549 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . 0.437 ' HG3' ' HD2' ' A' ' 441' ' ' ARG . 6.7 mm-40 -79.24 -9.82 59.66 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.941 0.4 . . . . 0.0 110.528 -178.312 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.853 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.312 179.979 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 111.471 -0.652 . . . . 0.0 111.471 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 392' ' ' SER . . . . . 0.534 ' O ' HD21 ' A' ' 439' ' ' LEU . 24.4 m -99.02 81.61 2.62 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 174.517 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . 0.662 ' HG3' HD11 ' A' ' 443' ' ' LEU . 2.9 mp0 -71.37 -175.15 1.19 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.872 -177.049 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 4.1 m 75.36 132.96 0.05 OUTLIER 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.8 -175.705 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . 0.724 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 27.6 mm-40 -58.96 -43.88 91.38 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 174.028 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -54.83 -29.31 54.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.829 172.619 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.15 -58.31 12.23 Favored Glycine 0 N--CA 1.444 -0.77 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.232 -179.995 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.487 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -66.25 -31.53 54.02 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.685 0 N-CA-C 110.484 -0.191 . . . . 0.0 110.484 -177.945 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.724 ' HG2' ' O ' ' A' ' 395' ' ' GLN . 30.6 mmtp -62.36 -42.51 99.46 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.904 -179.456 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -74.0 -45.43 49.98 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.285 0.564 . . . . 0.0 109.736 178.114 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 401' ' ' GLU . . . . . 0.478 ' HB3' HE21 ' A' ' 405' ' ' GLN . 5.8 mm-40 -57.51 -43.66 84.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.018 178.098 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 402' ' ' ILE . . . . . 0.61 HG13 HD22 ' A' ' 436' ' ' LEU . 12.7 tt -69.2 -35.19 66.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.078 -174.245 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.54 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 73.6 mtt180 -60.16 -44.47 94.97 Favored 'General case' 0 CA--C 1.521 -0.168 0 C-N-CA 120.069 -0.652 . . . . 0.0 110.055 175.843 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 61.5 mtm-85 -72.51 -40.76 66.59 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.067 178.633 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 405' ' ' GLN . . . . . 0.478 HE21 ' HB3' ' A' ' 401' ' ' GLU . 45.3 mt-30 -72.92 -32.22 65.16 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -176.9 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . 0.628 ' HA ' ' HB3' ' A' ' 409' ' ' LEU . 46.4 mt-10 -83.69 -15.7 47.76 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.279 -0.569 . . . . 0.0 110.267 175.566 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.54 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 6.3 t80 -68.46 -56.45 8.38 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 173.962 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.676 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.2 pp -67.64 -27.92 67.28 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.347 176.192 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 409' ' ' LEU . . . . . 0.628 ' HB3' ' HA ' ' A' ' 406' ' ' GLU . 15.0 tp -55.69 -48.42 75.13 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.026 -0.533 . . . . 0.0 109.936 174.976 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -58.84 -42.77 90.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.085 179.532 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . 0.438 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 12.1 m -57.26 -57.11 14.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.107 177.42 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.676 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 8.0 mt -55.24 -46.29 76.02 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-O 122.001 0.905 . . . . 0.0 110.258 178.126 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -57.76 -49.38 76.76 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 113.82 -1.536 . . . . 0.0 111.195 -177.531 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 414' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 411' ' ' SER . 14.6 ptt180 -75.85 -18.57 59.4 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.223 -178.014 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -72.94 -10.17 59.51 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.739 -0.209 . . . . 0.0 110.998 177.313 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.533 HD21 ' HB2' ' A' ' 425' ' ' LYS . 82.5 mt -90.31 -19.17 24.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.851 0.358 . . . . 0.0 111.172 179.487 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -106.18 156.47 18.42 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.145 0.497 . . . . 0.0 111.459 -173.546 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 103.15 16.06 22.01 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.586 -176.054 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 90.29 15.89 56.48 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.421 -179.043 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 41.9 mm -86.63 137.58 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.048 0.452 . . . . 0.0 110.873 -178.989 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 43.0 mttp -115.2 62.88 0.68 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.438 0.637 . . . . 0.0 110.427 -178.841 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . 0.492 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 10.5 t70 -102.87 139.28 38.65 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.634 -179.162 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.7 mp -105.38 -28.95 10.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.885 0.374 . . . . 0.0 110.608 -179.394 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . 0.501 ' HA ' ' HG2' ' A' ' 427' ' ' GLU . 73.8 m -73.69 -31.67 63.54 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.908 -174.127 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . 0.533 ' HB2' HD21 ' A' ' 416' ' ' LEU . 47.2 mmtm -65.94 -32.89 74.65 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.032 0.444 . . . . 0.0 109.981 175.266 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 426' ' ' GLU . . . . . 0.515 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 37.1 tt0 -73.59 -46.01 49.77 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.46 -175.699 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.501 ' HG2' ' HA ' ' A' ' 424' ' ' SER . 17.2 pt-20 -69.5 -23.81 63.67 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.029 178.646 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -78.54 -50.4 11.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.478 -179.457 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.617 ' HB2' HD12 ' A' ' 409' ' ' LEU . 4.1 pp -57.66 -37.26 73.08 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.017 177.931 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -75.65 -30.18 59.38 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.671 -179.653 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.423 ' O ' HG13 ' A' ' 435' ' ' ILE . 45.1 tt0 -61.35 -55.94 25.96 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.143 178.302 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.441 HG11 HD11 ' A' ' 408' ' ' LEU . 17.9 m -66.36 -32.77 59.55 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.797 -179.323 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -65.56 -48.5 72.18 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 120.858 0.361 . . . . 0.0 110.249 -178.882 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 434' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -66.72 -28.44 68.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.658 -177.635 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 435' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 431' ' ' GLU . 81.3 mt -75.44 -53.9 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.644 -0.253 . . . . 0.0 111.384 177.989 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . 0.61 HD22 HG13 ' A' ' 402' ' ' ILE . 4.5 pp -61.7 -31.33 71.46 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.627 -178.432 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 0.677 ' O ' ' HG2' ' A' ' 441' ' ' ARG . 56.9 m -69.67 -60.06 2.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.711 177.212 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -57.58 -37.73 73.68 Favored 'General case' 0 C--N 1.334 -0.097 0 CA-C-O 120.656 0.265 . . . . 0.0 111.322 -177.472 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.534 HD21 ' O ' ' A' ' 392' ' ' SER . 37.3 tp -60.89 -58.62 7.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 -178.1 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 440' ' ' LYS . . . . . 0.451 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 58.6 pttt -60.7 -34.56 74.56 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.889 0.376 . . . . 0.0 111.032 -176.487 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 441' ' ' ARG . . . . . 0.677 ' HG2' ' O ' ' A' ' 437' ' ' THR . 13.7 mmm180 -68.79 -50.66 48.46 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.856 -176.965 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -70.07 -19.66 63.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.679 0.276 . . . . 0.0 111.259 179.516 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.662 HD11 ' HG3' ' A' ' 393' ' ' GLU . 4.4 mm? -96.48 -5.49 39.38 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -178.746 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -121.32 -41.1 2.53 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 179.047 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -83.65 -19.72 34.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.67 0.271 . . . . 0.0 111.619 -176.542 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.878 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.384 -178.193 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.596 0 N-CA-C 111.784 -0.526 . . . . 0.0 111.784 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 4.0 p -108.94 99.79 9.08 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.288 0.566 . . . . 0.0 110.92 -179.954 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -95.54 119.55 34.24 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.633 178.985 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 15.3 p -125.54 79.88 1.85 Allowed 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -173.677 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . 0.437 ' CD ' ' HB2' ' A' ' 444' ' ' ARG . 1.9 mm-40 -79.76 -33.85 40.31 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 169.429 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -67.52 -20.24 65.41 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.481 172.028 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.38 -59.28 8.53 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.473 177.717 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.571 ' HB ' HD23 ' A' ' 439' ' ' LEU . 10.2 tp -69.74 -21.22 24.15 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.687 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 178.259 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.777 ' HA ' ' HE3' ' A' ' 399' ' ' LYS . 0.1 OUTLIER -57.23 -63.53 1.19 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.02 0.438 . . . . 0.0 110.27 175.052 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -66.76 -41.3 87.97 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.602 -179.729 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 401' ' ' GLU . . . . . 0.579 ' HB3' HE21 ' A' ' 405' ' ' GLN . 27.4 mt-10 -60.66 -47.9 84.18 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.279 179.486 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 402' ' ' ILE . . . . . 0.431 ' HA ' ' HB2' ' A' ' 405' ' ' GLN . 9.1 tt -64.91 -29.21 46.73 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.37 0 C-N-CA 121.095 -0.242 . . . . 0.0 110.861 -175.003 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.52 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 97.2 mtt180 -59.17 -48.25 82.31 Favored 'General case' 0 CA--C 1.522 -0.115 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 173.037 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . 0.475 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 79.4 mtp180 -70.26 -44.27 68.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.077 178.499 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 405' ' ' GLN . . . . . 0.579 HE21 ' HB3' ' A' ' 401' ' ' GLU . 76.1 mt-30 -60.68 -52.92 63.06 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.505 -179.319 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . 0.416 ' HG2' HG12 ' A' ' 402' ' ' ILE . 8.9 mm-40 -61.55 -32.37 72.45 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 118.056 0.389 . . . . 0.0 110.321 178.059 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.52 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.4 t80 -61.53 -56.36 20.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.813 -179.396 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.646 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.0 pp -72.83 -29.11 62.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.77 178.884 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 409' ' ' LEU . . . . . 0.523 ' N ' HD12 ' A' ' 408' ' ' LEU . 34.0 tp -58.02 -51.62 68.9 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.223 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -62.82 -37.66 87.64 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.965 178.715 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . 0.611 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 50.1 m -61.68 -52.88 62.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.311 -179.46 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.702 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 3.4 pp -79.63 -14.73 58.6 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.156 -0.618 . . . . 0.0 111.355 -178.998 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . 0.507 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 15.9 t-160 -73.48 -34.29 65.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.78 0.324 . . . . 0.0 110.366 174.519 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 414' ' ' ARG . . . . . 0.611 ' HG2' ' O ' ' A' ' 411' ' ' SER . 31.7 ptt180 -82.0 -20.42 38.49 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 176.259 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -81.1 26.7 0.43 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.488 179.269 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.568 HD21 ' HB3' ' A' ' 425' ' ' LYS . 88.1 mt -108.13 -9.03 15.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.6 175.355 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . 0.416 ' NE2' ' HA ' ' A' ' 414' ' ' ARG . 4.9 pm0 -151.42 -179.09 7.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.896 0.379 . . . . 0.0 110.891 -178.819 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 92.51 35.12 6.66 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 -176.052 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 96.25 -10.5 67.48 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -174.442 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 37.0 mm -94.49 135.08 29.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.481 -0.36 . . . . 0.0 110.37 -179.433 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -127.22 99.79 5.81 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 173.808 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . 0.409 ' OD1' ' HB2' ' A' ' 425' ' ' LYS . 9.8 t70 -134.44 139.09 45.28 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.05 -174.161 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 91.4 mt -106.99 -41.15 5.26 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.901 0.381 . . . . 0.0 111.266 -177.482 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . 0.441 ' HA ' ' OE2' ' A' ' 427' ' ' GLU . 74.5 m -69.32 -24.7 63.96 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.518 -177.143 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . 0.702 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 0.1 OUTLIER -59.56 -32.62 70.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.463 0.649 . . . . 0.0 109.475 174.075 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 426' ' ' GLU . . . . . 0.612 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 44.6 tt0 -81.63 -35.31 30.18 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.966 -1.016 . . . . 0.0 109.85 -177.679 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.441 ' OE2' ' HA ' ' A' ' 424' ' ' SER . 32.1 mt-10 -63.0 -30.4 71.57 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.748 0.785 . . . . 0.0 109.031 173.316 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 428' ' ' ARG . . . . . 0.444 ' O ' HG23 ' A' ' 432' ' ' VAL . 80.6 mtt180 -80.81 -40.78 24.41 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.704 -177.01 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.612 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.6 pp -60.82 -31.87 71.26 Favored 'General case' 0 CA--C 1.52 -0.191 0 C-N-CA 120.405 -0.518 . . . . 0.0 109.972 174.936 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 430' ' ' TRP . . . . . 0.449 ' N ' HD12 ' A' ' 429' ' ' LEU . 3.3 t90 -73.67 -35.76 65.26 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.169 178.79 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -59.99 -49.6 77.05 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.57 175.549 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 428' ' ' ARG . 63.7 t -58.37 -48.68 84.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.74 176.948 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -61.99 -44.68 96.22 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.856 -174.373 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 434' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -70.65 -30.07 66.6 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.033 -175.476 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 435' ' ' ILE . . . . . . . . . . . . . 77.2 mt -70.47 -53.27 23.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.02 177.961 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . 0.465 HD12 ' N ' ' A' ' 437' ' ' THR . 4.4 pp -62.4 -33.02 73.96 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.709 0.29 . . . . 0.0 110.766 179.888 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 0.465 ' N ' HD12 ' A' ' 436' ' ' LEU . 100.0 m -65.87 -59.23 4.07 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.665 176.293 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -56.59 -37.96 71.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.746 0.307 . . . . 0.0 111.784 -176.463 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.571 HD23 ' HB ' ' A' ' 398' ' ' ILE . 24.8 tp -73.19 -56.31 5.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.463 -175.547 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 440' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' A' ' 436' ' ' LEU . 61.1 pttt -67.23 -31.45 71.82 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.26 -173.925 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 441' ' ' ARG . . . . . 0.902 ' HD3' ' HG3' ' A' ' 445' ' ' GLU . 42.1 mmt180 -72.06 -43.88 64.2 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.056 -178.752 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -84.14 -11.76 56.07 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -177.267 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -104.08 -10.86 17.7 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.878 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . 0.571 ' HD2' ' OE2' ' A' ' 445' ' ' GLU . 13.5 ttm180 -138.53 -45.99 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.65 -0.42 . . . . 0.0 111.625 179.014 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . 0.902 ' HG3' ' HD3' ' A' ' 441' ' ' ARG . 6.7 mm-40 -79.68 9.02 5.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.647 -174.565 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.387 -0.816 . . . . 0.0 110.4 -178.192 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.712 0 N-CA-C 111.954 -0.458 . . . . 0.0 111.954 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 38.4 m -124.5 172.43 9.2 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 -179.952 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -76.81 159.46 30.07 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.969 0.414 . . . . 0.0 110.286 177.641 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 6.0 p -82.76 80.98 8.69 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.343 0.592 . . . . 0.0 112.138 -177.061 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . 0.455 ' O ' ' HD3' ' A' ' 399' ' ' LYS . 24.6 mm-40 -69.73 -38.69 76.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.044 175.123 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -64.66 -21.62 66.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.131 174.446 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.01 -59.72 8.18 Favored Glycine 0 N--CA 1.445 -0.714 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.826 178.803 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.502 ' O ' ' HB ' ' A' ' 402' ' ' ILE . 0.0 OUTLIER -66.93 -28.64 43.64 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.873 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 -179.46 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.693 ' O ' HG22 ' A' ' 402' ' ' ILE . 1.1 mptm? -64.3 -45.25 88.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.795 0.331 . . . . 0.0 111.267 178.659 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -70.88 -42.99 69.3 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.019 177.698 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -73.37 -23.38 60.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.779 -177.619 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 402' ' ' ILE . . . . . 0.693 HG22 ' O ' ' A' ' 399' ' ' LYS . 9.7 tp -71.41 -37.32 64.45 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.262 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 176.995 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.666 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 70.2 mtp180 -60.88 -46.62 89.9 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 174.46 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 55.3 mtt-85 -62.7 -52.24 64.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.156 179.148 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 405' ' ' GLN . . . . . 0.635 ' O ' ' HB2' ' A' ' 409' ' ' LEU . 41.8 mt-30 -68.81 -43.59 75.27 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.287 -174.204 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -73.99 -16.09 61.08 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.166 -0.614 . . . . 0.0 110.33 179.672 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.666 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 14.5 t80 -68.67 -60.84 2.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.229 177.135 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.573 HD23 ' O ' ' A' ' 405' ' ' GLN . 2.1 pt? -73.23 -26.07 60.98 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.249 -179.2 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 409' ' ' LEU . . . . . 0.635 ' HB2' ' O ' ' A' ' 405' ' ' GLN . 5.5 tt -58.04 -45.63 86.68 Favored 'General case' 0 C--O 1.219 -0.512 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 174.848 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -59.04 -43.84 91.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.756 176.081 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . 0.456 ' O ' ' HG3' ' A' ' 414' ' ' ARG . 22.9 t -62.6 -57.77 9.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.738 179.193 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.59 HD22 ' HB3' ' A' ' 428' ' ' ARG . 4.3 pp -64.91 -20.68 66.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.956 0.408 . . . . 0.0 111.387 -179.717 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 15.9 t-160 -73.53 -40.88 63.67 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 175.412 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 414' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' A' ' 411' ' ' SER . 4.2 ppt_? -79.51 -3.71 48.0 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.173 0.511 . . . . 0.0 110.458 177.429 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -89.68 9.98 25.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.049 171.378 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . . . . . . . . . 97.2 mt -113.6 25.02 11.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.057 175.898 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -68.68 158.66 33.7 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.516 -179.287 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -58.39 117.91 11.98 Favored Glycine 0 N--CA 1.448 -0.554 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.764 177.957 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 113.71 -11.94 23.06 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.362 -0.695 . . . . 0.0 111.362 -176.86 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 29.0 mm -103.4 109.71 27.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 177.789 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -93.43 83.52 4.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.23 0.538 . . . . 0.0 110.271 179.417 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . 0.574 ' CG ' ' HD3' ' A' ' 425' ' ' LYS . 10.3 t70 -131.86 135.03 46.38 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.157 178.607 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 88.3 mt -105.24 -28.11 11.14 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.047 0.451 . . . . 0.0 111.062 -176.779 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . 0.406 ' O ' ' HG3' ' A' ' 428' ' ' ARG . 71.5 m -79.42 -23.54 43.13 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.206 -0.452 . . . . 0.0 112.208 -173.131 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . 0.574 ' HD3' ' CG ' ' A' ' 422' ' ' ASP . 10.2 mptt -60.96 -33.07 72.62 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.491 0.662 . . . . 0.0 109.85 171.702 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 426' ' ' GLU . . . . . 0.601 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 45.2 tt0 -75.28 -39.79 59.34 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.565 179.808 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.22 -33.7 75.07 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 174.497 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 428' ' ' ARG . . . . . 0.59 ' HB3' HD22 ' A' ' 412' ' ' LEU . 27.3 mtp180 -71.37 -45.87 61.8 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.183 -176.447 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.5 pp -62.23 -31.68 72.26 Favored 'General case' 0 CA--C 1.511 -0.524 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.133 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 430' ' ' TRP . . . . . 0.414 ' N ' HD12 ' A' ' 429' ' ' LEU . 3.0 t90 -75.44 -31.25 60.26 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.731 179.219 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 9.6 tp10 -64.26 -57.4 9.56 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 -179.813 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.543 ' O ' ' HG ' ' A' ' 436' ' ' LEU . 3.9 m -67.17 -30.3 48.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.366 178.921 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . 0.545 ' HB2' ' O ' ' A' ' 429' ' ' LEU . 8.5 tt0 -59.25 -48.98 79.6 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-O 121.017 0.437 . . . . 0.0 109.927 -179.419 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 434' ' ' ARG . . . . . 0.431 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 35.4 ptt180 -71.79 -29.12 64.12 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.522 -176.131 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 435' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 431' ' ' GLU . 74.2 mt -74.03 -59.67 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 121.206 -0.198 . . . . 0.0 111.399 179.639 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . 0.557 HD12 ' N ' ' A' ' 437' ' ' THR . 4.6 pp -57.84 -35.9 71.55 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.485 0.183 . . . . 0.0 111.486 -179.42 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 0.557 ' N ' HD12 ' A' ' 436' ' ' LEU . 93.8 m -70.56 -50.77 33.94 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.027 179.775 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -65.31 -36.42 83.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.879 0.371 . . . . 0.0 110.776 -176.623 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.556 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 27.1 tp -61.99 -57.57 11.17 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.499 -177.929 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 440' ' ' LYS . . . . . 0.474 ' HB3' HG13 ' A' ' 398' ' ' ILE . 51.9 pttt -62.58 -30.45 71.34 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.759 0.314 . . . . 0.0 111.229 -178.2 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 441' ' ' ARG . . . . . 0.61 HH11 ' HG3' ' A' ' 445' ' ' GLU . 29.1 mmt180 -70.86 -49.56 44.78 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.52 -178.67 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 446' ' ' ALA . 12.6 mptt -70.66 -25.81 63.17 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.563 -179.667 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 64.0 mt -88.42 -24.81 22.94 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -177.638 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . 0.5 ' NE ' ' HA ' ' A' ' 444' ' ' ARG . 2.9 tpm_? -106.87 -49.19 3.34 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -177.509 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . 0.61 ' HG3' HH11 ' A' ' 441' ' ' ARG . 5.8 mm-40 -88.24 24.68 1.81 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.067 -173.022 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 442' ' ' LYS . . . . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.285 178.81 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 391' ' ' GLY . . . . . 0.405 ' HA2' ' HA ' ' A' ' 444' ' ' ARG . . . . . . . . 0 N--CA 1.483 1.794 0 N-CA-C 111.547 -0.621 . . . . 0.0 111.547 . . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 2.5 p -93.5 -71.87 0.63 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 117.324 0.562 . . . . 0.0 111.495 179.874 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . 0.706 ' HG3' ' H ' ' A' ' 394' ' ' THR . 2.3 pt-20 -134.15 -92.49 0.33 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -175.997 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.706 ' H ' ' HG3' ' A' ' 393' ' ' GLU . 3.3 p -86.05 77.13 9.69 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -170.287 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -70.83 -34.92 72.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.608 0.718 . . . . 0.0 109.149 175.352 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . 0.584 ' HA ' ' HB2' ' A' ' 399' ' ' LYS . . . -63.31 -13.18 35.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.897 173.977 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -59.43 -54.7 35.59 Favored Glycine 0 N--CA 1.449 -0.486 0 N-CA-C 111.351 -0.7 . . . . 0.0 111.351 177.093 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.615 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -70.79 -34.55 56.77 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.713 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.112 177.425 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.584 ' HB2' ' HA ' ' A' ' 396' ' ' ALA . 1.7 mptm? -57.76 -48.05 80.73 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.857 -179.918 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . 0.514 ' HA ' ' HD3' ' A' ' 403' ' ' ARG . 0.5 OUTLIER -70.0 -47.99 59.96 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.169 0.509 . . . . 0.0 109.904 -179.053 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -64.72 -36.65 84.98 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.818 -179.721 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 402' ' ' ILE . . . . . 0.707 HG13 HD13 ' A' ' 436' ' ' LEU . 13.9 tt -67.03 -29.73 47.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 117.849 0.295 . . . . 0.0 110.512 -178.42 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.57 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 26.8 mtp85 -60.15 -47.48 85.74 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 171.784 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 65.3 mtt180 -63.4 -49.93 71.87 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.772 176.487 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 405' ' ' GLN . . . . . 0.509 ' HG3' HD21 ' A' ' 436' ' ' LEU . 12.2 mm100 -65.59 -52.22 53.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.891 -1.05 . . . . 0.0 111.798 -173.924 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . 0.418 ' HG2' HG12 ' A' ' 402' ' ' ILE . 21.1 mm-40 -60.83 -29.37 69.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.752 0.31 . . . . 0.0 110.361 178.275 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.57 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.2 t80 -62.36 -55.47 27.67 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.037 0.446 . . . . 0.0 110.046 178.167 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.498 HD12 ' N ' ' A' ' 409' ' ' LEU . 2.7 pp -73.55 -29.49 62.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.247 179.994 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 409' ' ' LEU . . . . . 0.498 ' N ' HD12 ' A' ' 408' ' ' LEU . 7.0 tt -62.49 -47.43 84.01 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 176.078 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -59.43 -38.06 79.71 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.591 175.326 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . 0.781 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 38.7 m -65.26 -55.47 18.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.962 179.952 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.577 ' HA ' ' OD2' ' A' ' 415' ' ' ASP . 4.3 pp -69.98 -17.76 63.3 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 121.834 -0.541 . . . . 0.0 111.217 179.041 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . 0.496 ' HD2' HD12 ' A' ' 416' ' ' LEU . 16.3 t-160 -74.49 -41.51 60.58 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.377 175.343 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 414' ' ' ARG . . . . . 0.781 ' HG2' ' O ' ' A' ' 411' ' ' SER . 27.2 ptt180 -69.27 -21.23 63.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.078 -179.129 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 415' ' ' ASP . . . . . 0.577 ' OD2' ' HA ' ' A' ' 412' ' ' LEU . 57.3 m-20 -58.79 -29.18 66.64 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.786 174.177 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.496 HD12 ' HD2' ' A' ' 413' ' ' HIS . 86.5 mt -72.66 -38.36 67.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.735 -176.44 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . 0.495 ' HB2' HG12 ' A' ' 420' ' ' ILE . 81.5 mm-40 53.41 18.37 1.33 Allowed 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 177.996 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 77.3 -4.25 55.81 Favored Glycine 0 CA--C 1.524 0.645 0 C-N-CA 121.13 -0.557 . . . . 0.0 113.387 -179.489 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -170.9 53.68 0.19 Allowed Glycine 0 N--CA 1.454 -0.152 0 C-N-CA 120.339 -0.934 . . . . 0.0 113.175 -176.609 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 420' ' ' ILE . . . . . 0.495 HG12 ' HB2' ' A' ' 417' ' ' GLN . 25.3 mm -122.25 143.69 34.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 177.455 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 49.7 mttp -79.76 58.92 2.94 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.148 0.499 . . . . 0.0 111.603 -176.388 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . 0.435 ' HB3' ' HD3' ' A' ' 425' ' ' LYS . 1.1 m-20 -124.65 87.53 2.73 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.553 178.298 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 82.7 mt -74.05 -29.82 62.1 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.448 -178.171 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . 0.564 ' O ' ' HB2' ' A' ' 428' ' ' ARG . 22.9 p -63.37 -38.11 89.89 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.801 -179.214 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . 0.461 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 5.1 mptp? -62.84 -42.41 99.73 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.187 0.518 . . . . 0.0 111.016 178.949 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 426' ' ' GLU . . . . . 0.551 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 9.8 tp10 -65.78 -51.28 60.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.272 -176.154 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.28 -23.16 66.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.638 178.506 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 428' ' ' ARG . . . . . 0.564 ' HB2' ' O ' ' A' ' 424' ' ' SER . 3.4 tpp180 -75.71 -49.84 17.09 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.493 -177.436 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.2 pp -60.46 -34.96 74.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.91 0.386 . . . . 0.0 110.458 -179.533 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -72.07 -31.27 65.95 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.284 179.912 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.606 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 18.8 tp10 -71.43 -43.76 66.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.751 176.502 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 428' ' ' ARG . 58.4 t -58.96 -44.86 92.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.163 0.506 . . . . 0.0 110.147 175.709 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -64.81 -42.78 94.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.156 -177.194 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 434' ' ' ARG . . . . . 0.606 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 3.6 ptm180 -67.49 -34.93 78.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.715 -177.326 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 435' ' ' ILE . . . . . . . . . . . . . 77.0 mt -65.76 -48.85 80.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.17 0 CA-C-O 120.795 0.331 . . . . 0.0 110.129 176.129 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . 0.707 HD13 HG13 ' A' ' 402' ' ' ILE . 96.4 mt -57.18 -48.38 78.89 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.69 177.405 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . . . . . . . . . 32.6 m -58.5 -49.08 78.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.291 -179.974 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.72 -46.4 89.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.963 0.411 . . . . 0.0 110.833 -179.779 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.407 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 44.6 tp -64.29 -53.5 47.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.578 -177.172 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 440' ' ' LYS . . . . . 0.497 ' HB3' HG13 ' A' ' 398' ' ' ILE . 19.7 ptmt -60.46 -40.3 90.7 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -173.734 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 -77.65 -29.12 51.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.866 -175.416 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . 0.549 ' O ' ' HB3' ' A' ' 446' ' ' ALA . 11.4 mptt -75.55 -28.38 59.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.851 0.358 . . . . 0.0 110.65 175.718 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.499 HD13 ' O ' ' A' ' 394' ' ' THR . 89.8 mt -78.92 -24.29 44.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.989 0.423 . . . . 0.0 110.963 178.528 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . 0.405 ' HA ' ' HA2' ' A' ' 391' ' ' GLY . 31.3 ttt180 -96.69 -55.42 2.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.847 -178.463 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 62.3 mm-40 -85.0 -3.68 58.87 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -172.077 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 442' ' ' LYS . . . . . . . . 0 C--O 1.245 0.867 0 CA-C-O 118.416 -0.802 . . . . 0.0 110.399 179.451 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.82 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 8.5 t -120.74 70.32 0.9 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 175.018 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 16.5 mp0 -69.97 132.96 46.74 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.08 -177.49 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 3.2 m -105.98 118.1 35.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.539 178.389 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . 0.438 ' O ' ' HB2' ' A' ' 399' ' ' LYS . 9.3 mm-40 -63.02 -36.42 83.5 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.741 0.305 . . . . 0.0 110.391 174.512 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -63.14 -17.8 62.74 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.973 175.533 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -62.72 -60.2 8.1 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 111.509 -0.636 . . . . 0.0 111.509 178.355 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.657 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -72.27 -30.04 34.05 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.689 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 176.417 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.86 ' HA ' ' HE2' ' A' ' 399' ' ' LYS . 0.0 OUTLIER -56.66 -52.82 63.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.72 0.295 . . . . 0.0 110.9 -177.69 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -72.49 -41.99 65.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.742 0.306 . . . . 0.0 110.529 -179.57 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 401' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' ' 405' ' ' GLN . 29.1 mm-40 -56.62 -49.57 74.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.213 177.379 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 402' ' ' ILE . . . . . 0.657 HD12 HD11 ' A' ' 398' ' ' ILE . 14.2 tt -66.37 -26.49 37.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.028 -175.429 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.657 ' HG3' ' O ' ' A' ' 399' ' ' LYS . 97.5 mtt180 -58.36 -51.42 69.89 Favored 'General case' 0 CA--C 1.52 -0.194 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 171.822 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -66.96 -49.52 65.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.4 179.295 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 405' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' ' 401' ' ' GLU . 76.2 mt-30 -60.44 -50.43 73.62 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.992 -175.908 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . 0.631 ' HA ' ' HB3' ' A' ' 409' ' ' LEU . 36.0 mt-10 -69.73 -25.44 63.84 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.409 -0.516 . . . . 0.0 111.052 179.944 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.582 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.7 t80 -64.84 -51.79 60.18 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 176.858 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.721 HD11 HG21 ' A' ' 432' ' ' VAL . 3.6 pp -72.73 -31.59 65.07 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.554 177.119 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 409' ' ' LEU . . . . . 0.631 ' HB3' ' HA ' ' A' ' 406' ' ' GLU . 56.5 tp -57.56 -50.66 72.37 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.86 175.634 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 410' ' ' ASN . . . . . 0.437 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 11.4 t30 -62.83 -33.74 75.86 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.783 178.612 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 40.2 m -64.83 -49.11 71.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 177.627 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.705 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 9.6 mt -59.12 -48.62 80.95 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-O 122.052 0.93 . . . . 0.0 109.586 175.495 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . 0.42 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 1.6 t-160 -57.92 -43.38 86.23 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 113.619 -1.628 . . . . 0.0 111.722 -175.391 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 414' ' ' ARG . . . . . 0.437 ' HG2' ' O ' ' A' ' 410' ' ' ASN . 17.0 ptm180 -83.53 -13.43 54.54 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 121.149 -0.221 . . . . 0.0 111.276 -178.652 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -72.71 -17.27 61.64 Favored 'General case' 0 C--O 1.219 -0.511 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 -178.906 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.486 HD21 ' HB2' ' A' ' 425' ' ' LYS . 26.2 mt -85.22 -15.86 42.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.426 178.308 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -78.63 138.37 38.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.203 -175.703 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 106.56 8.95 31.93 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.629 -0.796 . . . . 0.0 111.265 -177.259 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 82.73 32.65 26.59 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.958 -177.111 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 32.2 mm -91.35 109.81 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -179.336 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . 0.458 ' NZ ' ' HB2' ' A' ' 421' ' ' LYS . 9.2 mtmp? -88.16 72.93 9.05 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.6 -0.44 . . . . 0.0 110.128 178.131 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . 0.518 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 10.1 t70 -106.99 112.73 25.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.872 179.646 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 74.5 mt -86.36 -17.94 33.16 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -174.75 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . 0.411 ' O ' ' HB2' ' A' ' 428' ' ' ARG . 72.7 m -66.77 -48.69 68.25 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.426 178.489 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . 0.518 ' HG2' ' OD1' ' A' ' 422' ' ' ASP . 22.8 mmtm -66.03 -35.9 81.81 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 120.989 0.423 . . . . 0.0 109.866 179.113 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 426' ' ' GLU . . . . . 0.61 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 9.4 tp10 -59.82 -57.58 12.26 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.756 -174.452 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -74.95 -20.51 59.65 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.547 -176.717 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 428' ' ' ARG . . . . . 0.411 ' HB2' ' O ' ' A' ' 424' ' ' SER . 19.8 tpt180 -77.92 -46.72 20.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.535 179.381 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.0 pp -57.9 -37.85 74.75 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 177.503 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -72.19 -31.3 65.77 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 121.105 0.479 . . . . 0.0 110.514 179.681 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.667 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 32.5 tt0 -72.28 -47.72 47.9 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.625 179.531 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.721 HG21 HD11 ' A' ' 408' ' ' LEU . 12.1 p -69.44 -28.91 39.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.94 0.4 . . . . 0.0 110.228 179.309 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -64.78 -44.31 90.42 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.222 177.868 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 434' ' ' ARG . . . . . 0.667 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 24.9 ptt180 -69.29 -25.85 64.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.335 -178.416 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 435' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 431' ' ' GLU . 81.1 mt -70.01 -59.84 3.08 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.111 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.839 176.853 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . 0.429 ' O ' ' HG2' ' A' ' 440' ' ' LYS . 4.4 pp -56.9 -31.91 65.37 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.46 0.172 . . . . 0.0 111.097 -179.454 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 0.72 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 64.1 m -68.0 -57.15 6.63 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 121.186 -0.205 . . . . 0.0 110.983 177.355 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.61 -38.75 88.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.908 0.385 . . . . 0.0 110.34 -178.746 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.486 ' HG ' ' HB ' ' A' ' 398' ' ' ILE . 30.9 tp -60.03 -54.06 50.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.117 -178.275 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 440' ' ' LYS . . . . . 0.72 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 52.0 pttt -64.55 -30.89 71.92 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.494 -176.895 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 441' ' ' ARG . . . . . 0.522 ' HG2' ' O ' ' A' ' 437' ' ' THR . 24.4 mmt180 -68.22 -52.72 30.97 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.296 -178.566 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . 0.675 ' HA ' ' HB2' ' A' ' 446' ' ' ALA . 15.1 ptmt -76.97 -16.35 59.36 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -178.329 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -94.07 -8.86 38.48 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.273 179.067 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 444' ' ' ARG . 38.3 ttt-85 -118.9 -64.96 1.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.349 0.595 . . . . 0.0 111.296 178.326 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -112.64 55.87 0.68 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.713 -169.765 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . 0.675 ' HB2' ' HA ' ' A' ' 442' ' ' LYS . . . . . . . . 0 C--O 1.248 1.016 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.044 176.216 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.922 0 N-CA-C 112.175 -0.37 . . . . 0.0 112.175 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 18.3 t -168.73 69.94 0.08 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 -179.342 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -82.18 107.44 14.87 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.589 -169.973 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 1.7 m -103.08 102.58 12.6 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.696 -177.844 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . 0.604 ' NE2' ' HB2' ' A' ' 444' ' ' ARG . 19.4 tt0 -76.23 -19.74 58.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.408 0.623 . . . . 0.0 109.366 175.024 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -67.25 -20.32 65.65 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 168.767 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -63.28 -57.54 14.9 Favored Glycine 0 N--CA 1.445 -0.763 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.508 176.572 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.45 HD11 HD12 ' A' ' 402' ' ' ILE . 0.0 OUTLIER -65.5 -30.85 51.44 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.659 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.021 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.518 ' O ' HG22 ' A' ' 402' ' ' ILE . 1.0 OUTLIER -57.56 -52.49 65.19 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -177.043 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -71.32 -40.98 70.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.969 0.414 . . . . 0.0 110.808 178.938 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -61.39 -41.71 97.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.958 178.87 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 402' ' ' ILE . . . . . 0.544 ' HA ' ' HB2' ' A' ' 405' ' ' GLN . 14.1 tt -70.03 -29.05 38.56 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.472 0 CA-C-N 116.676 -0.238 . . . . 0.0 110.708 -176.708 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.576 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 93.7 mtt180 -60.95 -44.6 97.05 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 173.454 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -71.1 -43.2 68.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.544 177.59 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 405' ' ' GLN . . . . . 0.544 ' HB2' ' HA ' ' A' ' 402' ' ' ILE . 16.7 mt-30 -65.56 -50.91 63.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.843 -177.853 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -62.9 -31.45 72.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.8 0.333 . . . . 0.0 110.256 177.924 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.576 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 2.0 t80 -59.67 -55.37 35.18 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.898 177.242 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.665 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 3.4 pp -73.08 -32.29 64.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.295 -179.419 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 409' ' ' LEU . . . . . 0.516 ' N ' HD12 ' A' ' 408' ' ' LEU . 7.2 tt -60.71 -50.97 71.36 Favored 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 177.873 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 410' ' ' ASN . . . . . 0.57 ' O ' ' HG3' ' A' ' 414' ' ' ARG . 6.2 t30 -57.37 -44.19 84.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.123 177.497 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 45.7 m -63.0 -55.75 23.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.639 -178.666 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.665 ' HG ' ' O ' ' A' ' 408' ' ' LEU . 4.2 pp -71.35 -14.2 62.11 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 120.93 0.395 . . . . 0.0 110.996 -178.551 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 -71.77 -32.06 67.28 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 170.78 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 414' ' ' ARG . . . . . 0.57 ' HG3' ' O ' ' A' ' 410' ' ' ASN . 71.9 mtp180 -82.85 -14.96 53.34 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.292 178.079 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 415' ' ' ASP . . . . . 0.476 ' HB2' ' O ' ' A' ' 412' ' ' LEU . 0.7 OUTLIER -61.26 -18.45 58.45 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.712 171.79 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.668 HD21 ' HB2' ' A' ' 425' ' ' LYS . 36.7 mt -89.35 3.18 53.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.813 -178.345 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -123.64 150.18 44.5 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.144 -172.83 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 103.45 14.92 24.5 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.544 179.58 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 88.23 40.44 6.52 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.69 -0.766 . . . . 0.0 111.428 -179.055 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 51.2 mm -109.79 137.32 42.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.9 0.381 . . . . 0.0 110.699 -175.723 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -106.07 89.79 3.17 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.178 0.513 . . . . 0.0 109.957 175.513 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . 0.528 ' CG ' ' HG2' ' A' ' 425' ' ' LYS . 14.3 t0 -139.19 122.4 16.96 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.212 179.663 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 6.4 mp -102.38 -18.91 15.18 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.125 0.488 . . . . 0.0 110.224 -179.572 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . 0.458 ' HA ' ' OE2' ' A' ' 427' ' ' GLU . 68.3 m -76.81 -30.37 56.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.851 -174.867 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . 0.668 ' HB2' HD21 ' A' ' 416' ' ' LEU . 28.5 mmtp -64.09 -30.98 72.02 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-O 120.957 0.408 . . . . 0.0 109.905 175.281 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 426' ' ' GLU . . . . . 0.572 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 40.9 tt0 -73.4 -42.29 62.28 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -179.365 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.458 ' OE2' ' HA ' ' A' ' 424' ' ' SER . 28.2 mt-10 -62.15 -33.44 74.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.652 173.644 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 428' ' ' ARG . . . . . 0.558 ' O ' HG12 ' A' ' 432' ' ' VAL . 42.4 ttt180 -75.47 -43.57 48.7 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.744 -175.083 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 426' ' ' GLU . 4.6 pp -63.07 -29.53 70.88 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-O 120.776 0.322 . . . . 0.0 110.138 178.801 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -77.21 -30.49 54.68 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 120.251 -0.579 . . . . 0.0 110.239 177.569 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.557 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 24.8 tt0 -69.44 -51.66 34.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.376 179.793 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.558 HG12 ' O ' ' A' ' 428' ' ' ARG . 1.5 p -61.07 -36.73 74.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.231 176.593 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -64.54 -49.03 72.85 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.843 0.354 . . . . 0.0 110.716 179.166 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 434' ' ' ARG . . . . . 0.557 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 29.5 ptt180 -65.23 -23.5 67.09 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.711 -177.021 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 435' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 431' ' ' GLU . 88.4 mt -79.85 -55.24 9.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.882 177.173 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . 0.495 ' O ' ' HG2' ' A' ' 440' ' ' LYS . 4.5 pp -61.06 -31.61 71.27 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 121.157 -0.217 . . . . 0.0 110.774 -178.254 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 0.441 ' N ' HD12 ' A' ' 436' ' ' LEU . 70.1 m -69.61 -58.72 3.59 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.512 177.399 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.58 -33.82 73.27 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 120.757 0.313 . . . . 0.0 111.119 -177.283 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.487 ' O ' HD23 ' A' ' 443' ' ' LEU . 24.8 tp -63.79 -60.74 2.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.792 -177.786 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 440' ' ' LYS . . . . . 0.495 ' HG2' ' O ' ' A' ' 436' ' ' LEU . 58.1 pttt -63.97 -33.64 76.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.917 0.389 . . . . 0.0 111.241 -176.648 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 441' ' ' ARG . . . . . 0.415 ' O ' ' HG2' ' A' ' 445' ' ' GLU . 33.9 mmt180 -68.46 -55.68 10.99 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.337 -179.369 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . 0.403 ' O ' ' HB2' ' A' ' 446' ' ' ALA . 2.1 mptm? -67.63 -28.06 67.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.719 0.295 . . . . 0.0 111.373 -178.987 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.487 HD23 ' O ' ' A' ' 439' ' ' LEU . 4.3 mm? -80.15 -16.48 54.8 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.464 -179.577 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . 0.604 ' HB2' ' NE2' ' A' ' 395' ' ' GLN . 49.6 ttp180 -104.97 -68.3 0.87 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.137 0.494 . . . . 0.0 111.516 177.725 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 441' ' ' ARG . 8.0 pt-20 -93.28 49.02 1.36 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.583 0.706 . . . . 0.0 111.227 -169.029 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 442' ' ' LYS . . . . . . . . 0 C--O 1.242 0.698 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.031 173.737 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.444 0 N-CA-C 111.695 -0.562 . . . . 0.0 111.695 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 25.0 t -83.81 92.6 7.79 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 174.926 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . 0.563 ' HB2' HD21 ' A' ' 443' ' ' LEU . 14.7 mm-40 -84.15 165.82 18.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.797 -174.385 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 18.6 p -75.85 74.23 2.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.337 0.589 . . . . 0.0 112.078 -178.617 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . 0.626 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 0.5 OUTLIER -70.27 -37.19 74.83 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 174.412 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -63.45 -14.1 47.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.48 174.538 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.68 -59.98 8.88 Favored Glycine 0 N--CA 1.441 -1.009 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 177.966 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.598 ' HB ' HD23 ' A' ' 439' ' ' LEU . 0.0 OUTLIER -64.92 -32.56 58.74 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.677 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.302 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.626 ' HG2' ' O ' ' A' ' 395' ' ' GLN . 32.7 mmtp -58.44 -52.65 64.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.925 0.393 . . . . 0.0 110.914 179.245 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . 0.683 ' HG3' HH21 ' A' ' 403' ' ' ARG . 44.0 tt0 -70.85 -44.88 65.53 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.764 0.316 . . . . 0.0 110.412 -179.207 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -62.98 -40.97 99.34 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.132 -178.781 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 402' ' ' ILE . . . . . 0.734 HG13 HD22 ' A' ' 436' ' ' LEU . 12.0 tt -66.88 -33.41 63.22 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.287 0 C-N-CA 121.244 -0.182 . . . . 0.0 110.655 -178.035 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.683 HH21 ' HG3' ' A' ' 400' ' ' GLU . 77.5 mtm180 -58.06 -48.54 79.8 Favored 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 175.341 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . 0.441 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 83.7 mtp180 -75.93 -37.86 58.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.627 -177.975 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 405' ' ' GLN . . . . . 0.418 ' NE2' ' HB3' ' A' ' 436' ' ' LEU . 26.1 mt-30 -71.13 -43.25 67.99 Favored 'General case' 0 C--O 1.22 -0.449 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.544 -178.678 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -68.22 -27.71 66.61 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 174.933 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.6 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.5 t80 -62.31 -54.06 46.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.9 176.949 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.657 HD11 HG11 ' A' ' 432' ' ' VAL . 3.3 pp -74.48 -24.22 58.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 178.821 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 409' ' ' LEU . . . . . 0.447 ' N ' HD12 ' A' ' 408' ' ' LEU . 8.5 tt -65.49 -43.76 89.2 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.141 -0.688 . . . . 0.0 109.141 174.391 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -58.81 -43.72 90.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.237 172.54 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . 0.464 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 34.1 t -59.74 -53.54 56.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.082 179.375 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.816 ' HB2' ' HG3' ' A' ' 425' ' ' LYS . 4.4 pp -67.73 -24.43 65.37 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 120.439 -0.504 . . . . 0.0 111.3 -179.157 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . 0.417 ' N ' HD12 ' A' ' 412' ' ' LEU . 1.8 m-70 -68.75 -44.85 72.9 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.529 0.204 . . . . 0.0 111.431 173.892 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 414' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 411' ' ' SER . 16.5 ptp180 -72.73 -10.19 59.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.227 0.537 . . . . 0.0 110.421 178.069 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.77 13.5 34.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.814 174.553 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.653 ' O ' ' HB ' ' A' ' 420' ' ' ILE . 54.0 mt -106.53 -51.93 2.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.251 170.348 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . 0.668 ' HB2' HG12 ' A' ' 420' ' ' ILE . 78.4 mt-30 54.44 -159.53 0.17 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.28 176.791 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -97.9 -22.21 16.33 Favored Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.887 176.251 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -126.83 19.36 6.17 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.338 -0.934 . . . . 0.0 114.152 -175.755 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 420' ' ' ILE . . . . . 0.668 HG12 ' HB2' ' A' ' 417' ' ' GLN . 49.9 mm -95.49 118.69 42.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 117.685 0.743 . . . . 0.0 109.459 174.277 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -84.63 86.71 7.28 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.282 -179.275 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . 0.444 ' OD1' ' HD3' ' A' ' 425' ' ' LYS . 10.1 t70 -132.2 140.9 48.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.95 -178.96 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 78.6 mt -113.73 -35.54 5.14 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-O 121.356 0.598 . . . . 0.0 110.472 179.179 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 4.4 m -59.37 -40.05 85.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.876 -175.885 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . 0.816 ' HG3' ' HB2' ' A' ' 412' ' ' LEU . 0.3 OUTLIER -56.92 -33.68 67.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.96 -179.785 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 426' ' ' GLU . . . . . 0.458 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 37.1 tt0 -74.66 -44.87 48.22 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -177.018 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -64.8 -30.29 71.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.484 0.659 . . . . 0.0 110.02 176.245 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -76.21 -40.86 51.16 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.873 -178.423 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.81 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.4 pp -64.95 -32.35 74.02 Favored 'General case' 0 CA--C 1.513 -0.451 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.835 178.776 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 430' ' ' TRP . . . . . 0.53 ' N ' HD12 ' A' ' 429' ' ' LEU . 1.5 t90 -78.77 -27.77 44.67 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 120.376 -0.529 . . . . 0.0 110.406 179.624 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.454 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 44.1 tt0 -62.58 -57.0 12.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.378 179.272 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.657 HG11 HD11 ' A' ' 408' ' ' LEU . 33.4 m -68.39 -32.14 54.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.039 179.883 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -65.89 -49.94 66.27 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.241 -179.778 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 434' ' ' ARG . . . . . 0.454 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 14.8 ptm180 -63.14 -33.86 76.37 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.793 -176.655 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 435' ' ' ILE . . . . . . . . . . . . . 66.2 mt -66.8 -55.29 18.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.919 179.307 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . 0.734 HD22 HG13 ' A' ' 402' ' ' ILE . 4.5 pp -63.61 -32.62 74.15 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.415 -178.502 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 0.812 ' HA ' ' HE3' ' A' ' 440' ' ' LYS . 90.0 m -66.91 -55.71 13.46 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.712 178.07 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.72 -41.99 98.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.336 -175.795 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.598 HD23 ' HB ' ' A' ' 398' ' ' ILE . 45.7 tp -59.9 -59.4 5.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.323 -177.606 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 440' ' ' LYS . . . . . 0.812 ' HE3' ' HA ' ' A' ' 437' ' ' THR . 18.9 pttp -61.93 -32.15 72.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.687 0.28 . . . . 0.0 111.508 -174.488 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 441' ' ' ARG . . . . . 0.967 ' HD2' ' HG3' ' A' ' 445' ' ' GLU . 29.5 mmm180 -75.32 -47.93 25.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.983 -178.137 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -74.57 -24.16 58.87 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 111.837 0.31 . . . . 0.0 111.837 -179.516 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.572 HD22 HE21 ' A' ' 395' ' ' GLN . 8.5 tt -88.79 -51.15 5.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.715 0.293 . . . . 0.0 111.133 -176.954 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . 0.475 ' HD3' ' OE1' ' A' ' 395' ' ' GLN . 49.7 ttp180 -107.71 -30.38 8.6 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.614 0.598 . . . . 0.0 112.614 -171.089 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . 0.967 ' HG3' ' HD2' ' A' ' 441' ' ' ARG . 5.9 mm-40 -91.78 9.91 30.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.216 0.532 . . . . 0.0 110.665 -172.76 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.413 -0.803 . . . . 0.0 110.412 -179.888 . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.84 0 N-CA-C 111.842 -0.503 . . . . 0.0 111.842 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 9.9 p -81.66 89.89 6.28 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 175.657 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -81.45 -81.67 0.13 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.17 -175.459 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . 0.409 ' O ' HD21 ' A' ' 443' ' ' LEU . 4.6 p -90.46 73.45 6.92 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 120.816 0.341 . . . . 0.0 111.177 -178.835 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . 0.593 ' HA ' HD21 ' A' ' 443' ' ' LEU . 24.9 tp60 -62.42 -36.57 82.79 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 121.343 0.592 . . . . 0.0 109.643 178.279 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . 0.508 ' HA ' ' HB2' ' A' ' 399' ' ' LYS . . . -66.75 -9.8 40.49 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.887 176.373 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -64.08 -64.73 3.44 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 178.679 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.554 HG13 ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -66.49 -26.09 36.76 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.715 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.312 . . . . . . . . 3 3 . 1 . 048 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.508 ' HB2' ' HA ' ' A' ' 396' ' ' ALA . 62.3 mmtt -62.4 -52.15 64.71 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.679 -0.408 . . . . 0.0 111.991 179.152 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -68.64 -44.82 73.36 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.764 -0.774 . . . . 0.0 109.647 176.22 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -63.75 -34.34 77.66 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.912 -176.699 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 402' ' ' ILE . . . . . 0.489 HG22 ' O ' ' A' ' 399' ' ' LYS . 11.2 tp -69.07 -39.68 79.84 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.307 0 CA-C-N 118.276 0.489 . . . . 0.0 110.192 179.279 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.588 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 83.3 mtp180 -59.98 -41.09 91.27 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 120.982 0.42 . . . . 0.0 109.928 176.255 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . 0.416 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 54.7 mtp180 -78.88 -38.93 36.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.575 -176.726 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 405' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -73.89 -40.71 63.0 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 122.464 -0.148 . . . . 0.0 110.979 -179.677 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -66.83 -29.2 69.07 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.336 -0.546 . . . . 0.0 109.678 174.449 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.588 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.8 t80 -62.96 -55.47 25.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.527 176.504 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.52 HD12 ' N ' ' A' ' 409' ' ' LEU . 3.1 pp -70.4 -31.64 68.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.258 179.272 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 409' ' ' LEU . . . . . 0.52 ' N ' HD12 ' A' ' 408' ' ' LEU . 17.4 tp -58.88 -49.93 75.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.199 0.523 . . . . 0.0 109.631 175.291 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -61.87 -39.81 93.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.021 177.331 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 52.5 m -64.7 -55.2 21.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.545 -179.471 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.798 HD11 ' HB3' ' A' ' 429' ' ' LEU . 4.4 pp -65.87 -22.9 66.56 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.677 0.275 . . . . 0.0 111.089 -178.326 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . 0.418 ' N ' HD12 ' A' ' 412' ' ' LEU . 22.7 m170 -67.44 -34.96 78.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.049 0.452 . . . . 0.0 110.123 172.384 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 53.4 mtm180 -71.45 -26.74 62.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.42 176.373 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -80.05 4.81 15.92 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.891 0.377 . . . . 0.0 110.714 175.168 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 412' ' ' LEU . 75.7 mt -112.73 -3.39 14.25 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.527 176.847 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -122.18 148.35 45.05 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.195 -175.63 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 102.56 15.78 24.05 Favored Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.875 179.902 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 86.45 48.15 4.63 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.142 -178.573 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 42.9 mt -117.68 139.62 44.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.698 0.285 . . . . 0.0 110.481 -179.008 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -112.58 112.76 24.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.33 175.771 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . 0.6 ' CG ' ' HD3' ' A' ' 425' ' ' LYS . 9.9 t0 -155.88 115.02 3.53 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.683 179.214 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 80.0 mt -87.66 -17.57 31.53 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.742 -176.716 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 47.4 m -74.35 -38.94 63.08 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.72 -176.183 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . 0.6 ' HD3' ' CG ' ' A' ' 422' ' ' ASP . 11.9 mptt -60.31 -33.33 72.22 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 120.722 0.296 . . . . 0.0 110.962 177.907 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 426' ' ' GLU . . . . . 0.661 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 40.4 mt-10 -71.64 -48.42 47.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.712 -177.052 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -66.19 -28.98 69.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.151 0.501 . . . . 0.0 110.405 175.915 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -75.12 -40.75 59.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.857 -177.41 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.798 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.3 pp -63.07 -37.96 89.28 Favored 'General case' 0 CA--C 1.513 -0.479 0 C-N-CA 120.643 -0.423 . . . . 0.0 109.888 178.993 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 4.3 t90 -73.71 -26.84 60.89 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.52 179.724 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.601 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 38.9 tt0 -65.29 -52.53 53.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.047 177.798 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 18.6 m -69.85 -33.7 57.07 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.422 179.127 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -62.36 -45.64 92.28 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 120.845 0.355 . . . . 0.0 110.258 179.348 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 434' ' ' ARG . . . . . 0.601 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 37.6 ptt180 -68.14 -28.09 67.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.066 -179.02 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 435' ' ' ILE . . . . . 0.514 HG13 ' O ' ' A' ' 431' ' ' GLU . 82.8 mt -72.91 -58.8 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 121.112 -0.235 . . . . 0.0 110.871 177.33 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . 0.44 HD12 ' N ' ' A' ' 437' ' ' THR . 4.1 pp -58.15 -35.43 71.53 Favored 'General case' 0 C--N 1.333 -0.135 0 O-C-N 123.073 0.233 . . . . 0.0 110.818 -177.604 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 0.44 ' N ' HD12 ' A' ' 436' ' ' LEU . 93.2 m -67.43 -58.67 4.33 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.884 176.997 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.22 -40.93 95.84 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.006 -175.03 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . . . . . . . . . 53.0 tp -59.64 -58.61 7.82 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.312 -177.4 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 440' ' ' LYS . . . . . 0.681 ' O ' ' HG2' ' A' ' 444' ' ' ARG . 11.5 pttp -61.14 -28.53 69.18 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 121.029 0.442 . . . . 0.0 110.83 -175.522 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 441' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 437' ' ' THR . 40.3 mmt180 -68.0 -58.38 4.61 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.888 178.284 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . . . . . . . . . 6.6 ptmm? -78.22 8.94 4.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 111.067 -179.724 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.593 HD21 ' HA ' ' A' ' 395' ' ' GLN . 50.0 tp -103.07 -62.69 1.25 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.059 176.262 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . 0.681 ' HG2' ' O ' ' A' ' 440' ' ' LYS . 6.7 ptm180 -81.57 -34.45 31.06 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -172.373 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -121.9 32.88 5.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.306 0.574 . . . . 0.0 111.071 -169.893 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.816 0 CA-C-O 118.335 -0.84 . . . . 0.0 109.879 175.375 . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.721 0 N-CA-C 112.057 -0.417 . . . . 0.0 112.057 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' A' A ' 392' ' ' SER . . . . . 0.774 ' HA ' ' HG ' ' A' ' 443' ' ' LEU . 66.1 m -92.22 107.24 19.07 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.862 0.363 . . . . 0.0 110.912 -179.664 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . 0.677 ' H ' HD11 ' A' ' 443' ' ' LEU . 8.5 tt0 -80.59 -73.55 0.36 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.618 177.949 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 1.5 p -110.38 86.94 2.4 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.395 0.616 . . . . 0.0 111.775 -177.64 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . 0.617 ' O ' ' HG2' ' A' ' 399' ' ' LYS . 22.5 mm-40 -71.77 -36.36 70.34 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.7 175.233 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . . . . . . . . . . . -66.67 -22.91 66.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.225 175.887 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -59.88 -52.94 49.9 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.056 -179.84 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.605 ' HB ' HD23 ' A' ' 439' ' ' LEU . 0.0 OUTLIER -70.19 -37.45 71.67 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.63 0 C-N-CA 120.719 -0.393 . . . . 0.0 109.97 178.631 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.617 ' HG2' ' O ' ' A' ' 395' ' ' GLN . 13.8 mmmm -59.99 -45.8 91.53 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.692 -175.696 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -68.69 -45.55 71.35 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.116 0.484 . . . . 0.0 110.875 179.297 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -70.37 -35.27 73.43 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.984 -177.513 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 402' ' ' ILE . . . . . 0.768 HG13 HD22 ' A' ' 436' ' ' LEU . 15.2 tt -66.92 -30.86 51.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -179.712 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.608 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 72.8 mtp180 -59.09 -50.35 74.41 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 172.255 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . 0.485 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 41.2 mtm180 -64.31 -49.9 69.94 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.688 178.788 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 405' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -64.0 -46.67 83.51 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.205 -174.401 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -73.69 -20.29 60.58 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.068 -0.653 . . . . 0.0 110.865 179.886 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.608 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 3.8 t80 -71.31 -49.75 39.53 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.599 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.488 ' O ' ' HG ' ' A' ' 412' ' ' LEU . 2.7 pp -73.13 -28.36 62.2 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.639 177.513 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 409' ' ' LEU . . . . . 0.462 ' N ' HD12 ' A' ' 408' ' ' LEU . 9.4 tt -60.16 -45.67 92.31 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 173.494 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 410' ' ' ASN . . . . . 0.405 ' HB3' ' O ' ' A' ' 407' ' ' PHE . 2.9 t-20 -54.59 -46.02 73.69 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.643 175.488 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . 0.488 ' O ' ' HG2' ' A' ' 414' ' ' ARG . 6.8 t -63.35 -57.54 10.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.034 -179.252 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.572 HD11 ' HB3' ' A' ' 429' ' ' LEU . 4.4 pp -67.47 -20.86 65.53 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 120.761 0.315 . . . . 0.0 111.224 -178.261 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -64.61 -46.86 80.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.83 0.348 . . . . 0.0 110.663 176.238 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 414' ' ' ARG . . . . . 0.488 ' HG2' ' O ' ' A' ' 411' ' ' SER . 6.7 ptm180 -78.62 -13.17 59.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.865 0.364 . . . . 0.0 110.612 -177.405 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 415' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.67 -11.74 60.53 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.68 172.806 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.559 HD21 ' HB2' ' A' ' 425' ' ' LYS . 81.3 mt -86.37 -1.22 57.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.802 176.401 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -127.95 147.74 50.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.977 0.418 . . . . 0.0 111.264 -175.05 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 111.54 29.49 3.38 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.652 -177.33 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 78.91 21.27 68.69 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.693 -178.456 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 43.5 mm -96.85 119.68 45.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.852 0.358 . . . . 0.0 110.945 -177.899 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . 0.47 ' HE3' HD21 ' A' ' 423' ' ' LEU . 51.3 tptt -98.54 81.43 2.71 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.183 0.516 . . . . 0.0 109.61 175.201 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . 0.676 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 12.5 t70 -122.59 133.01 54.56 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.925 -179.295 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . 0.47 HD21 ' HE3' ' A' ' 421' ' ' LYS . 3.5 mm? -104.73 -11.95 16.59 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.141 0.496 . . . . 0.0 110.58 -179.669 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . 0.463 ' O ' ' HG2' ' A' ' 428' ' ' ARG . 64.7 m -72.99 -42.27 63.47 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.899 -176.769 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . 0.676 ' HG2' ' OD1' ' A' ' 422' ' ' ASP . 48.0 mmtt -57.97 -37.54 74.4 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.399 0.618 . . . . 0.0 109.758 178.748 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 426' ' ' GLU . . . . . 0.564 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 9.0 tp10 -62.79 -50.67 70.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.581 -1.191 . . . . 0.0 109.973 -177.387 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -73.31 -18.03 61.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.069 178.872 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 428' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' A' ' 424' ' ' SER . 33.3 mmt180 -79.52 -43.37 23.23 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.157 178.754 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.572 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.5 pp -63.99 -35.94 82.33 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 177.748 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -76.27 -26.98 56.47 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.232 179.124 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.511 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 42.4 tt0 -63.29 -57.52 10.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.822 178.169 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.429 HG11 HD11 ' A' ' 408' ' ' LEU . 24.8 m -68.54 -31.53 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.238 -179.933 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -63.26 -44.41 95.22 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 120.967 0.413 . . . . 0.0 110.286 -179.842 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 434' ' ' ARG . . . . . 0.511 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 12.3 ptt180 -72.46 -28.51 62.97 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.925 -178.352 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 435' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 431' ' ' GLU . 73.1 mt -68.17 -54.77 19.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 116.717 -0.219 . . . . 0.0 111.009 177.936 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . 0.768 HD22 HG13 ' A' ' 402' ' ' ILE . 4.3 pp -63.05 -35.04 78.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.802 179.378 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 0.594 ' HA ' ' HE3' ' A' ' 440' ' ' LYS . 97.3 m -71.55 -45.45 62.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.861 -0.154 . . . . 0.0 111.383 -179.945 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . 0.558 ' O ' ' HB2' ' A' ' 442' ' ' LYS . . . -55.42 -48.71 73.99 Favored 'General case' 0 CA--C 1.516 -0.341 0 O-C-N 123.359 0.412 . . . . 0.0 110.886 -178.64 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.605 HD23 ' HB ' ' A' ' 398' ' ' ILE . 34.5 tp -64.1 -57.87 8.33 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.063 -177.368 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 440' ' ' LYS . . . . . 0.594 ' HE3' ' HA ' ' A' ' 437' ' ' THR . 22.9 pttp -64.35 -32.13 73.61 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 112.011 0.374 . . . . 0.0 112.011 -172.321 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 441' ' ' ARG . . . . . 0.421 ' HD3' ' HA ' ' A' ' 441' ' ' ARG . 37.3 mmt180 -82.96 -44.78 14.91 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.365 -178.807 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . 0.558 ' HB2' ' O ' ' A' ' 438' ' ' ALA . 14.1 mptt -69.58 -18.41 63.63 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.072 178.093 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.774 ' HG ' ' HA ' ' A' ' 392' ' ' SER . 17.1 tp -94.67 -26.68 16.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.375 -178.849 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -102.97 -40.82 6.34 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -174.768 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -73.83 -21.16 60.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.145 0.498 . . . . 0.0 110.406 -176.771 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.877 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.221 179.409 . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 391' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.536 0 N-CA-C 111.731 -0.548 . . . . 0.0 111.731 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 392' ' ' SER . . . . . . . . . . . . . 3.6 t -124.92 132.2 53.32 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -177.465 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 61.16 14.64 5.66 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 174.626 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 394' ' ' THR . . . . . . . . . . . . . 15.0 m 70.73 115.53 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 121.043 0.449 . . . . 0.0 111.921 177.693 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 395' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -66.99 -34.06 76.93 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 175.641 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 396' ' ' ALA . . . . . 0.46 ' HA ' ' HB2' ' A' ' 399' ' ' LYS . . . -66.09 -10.96 45.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.153 174.676 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 397' ' ' GLY . . . . . . . . . . . . . . . -61.44 -55.03 31.35 Favored Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.596 176.786 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 398' ' ' ILE . . . . . 0.503 ' CD1' ' HB3' ' A' ' 440' ' ' LYS . 0.0 OUTLIER -70.45 -32.93 51.74 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.609 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 176.861 . . . . . . . . 3 3 . 1 . 050 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.46 ' HB2' ' HA ' ' A' ' 396' ' ' ALA . 71.4 mmtt -55.38 -52.43 63.55 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -178.732 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -72.91 -38.49 66.88 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.73 0.3 . . . . 0.0 111.176 179.444 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 401' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.46 -47.17 85.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.367 178.313 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 402' ' ' ILE . . . . . 0.432 HG13 ' HB2' ' A' ' 436' ' ' LEU . 13.2 tt -65.83 -30.47 50.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.502 -177.209 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.647 ' O ' ' HB2' ' A' ' 407' ' ' PHE . 89.5 mtt180 -57.55 -49.86 74.97 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.176 173.091 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 404' ' ' ARG . . . . . 0.509 ' O ' ' HG ' ' A' ' 408' ' ' LEU . 63.5 mtm180 -72.54 -43.0 64.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.114 -179.782 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 405' ' ' GLN . . . . . 0.471 ' O ' ' HB2' ' A' ' 409' ' ' LEU . 75.1 mt-30 -65.15 -42.7 93.53 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.975 -177.344 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -78.65 -20.01 51.28 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.07 -0.652 . . . . 0.0 110.729 177.884 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 407' ' ' PHE . . . . . 0.647 ' HB2' ' O ' ' A' ' 403' ' ' ARG . 4.1 t80 -69.18 -51.56 36.83 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 175.249 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 404' ' ' ARG . 3.4 pp -70.63 -29.74 66.19 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.31 176.805 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 409' ' ' LEU . . . . . 0.59 ' O ' ' HB2' ' A' ' 413' ' ' HIS . 7.0 tt -61.04 -49.17 78.48 Favored 'General case' 0 C--O 1.224 -0.257 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 175.018 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 410' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.22 -41.54 84.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.735 174.804 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 411' ' ' SER . . . . . . . . . . . . . 38.2 m -61.38 -58.18 9.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.958 179.809 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 412' ' ' LEU . . . . . 0.752 HD11 ' HB3' ' A' ' 429' ' ' LEU . 4.6 pp -65.61 -26.1 67.68 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 121.0 0.429 . . . . 0.0 110.987 -179.212 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . 0.59 ' HB2' ' O ' ' A' ' 409' ' ' LEU . 10.4 t-160 -66.48 -34.63 78.35 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 177.423 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 414' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -76.67 -26.4 54.76 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.02 177.888 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 415' ' ' ASP . . . . . 0.419 ' OD2' ' HA ' ' A' ' 412' ' ' LEU . 16.2 m-20 -64.29 -18.06 64.23 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.669 175.78 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.662 HD21 ' HB2' ' A' ' 425' ' ' LYS . 49.2 mt -86.11 -16.34 38.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 178.057 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -90.11 149.14 22.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.332 -173.187 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 103.76 21.87 9.37 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 111.419 -0.672 . . . . 0.0 111.419 -178.219 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 69.83 34.33 71.7 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 121.226 -0.511 . . . . 0.0 111.832 -176.413 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 420' ' ' ILE . . . . . . . . . . . . . 51.4 mm -95.2 122.83 47.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.631 0.253 . . . . 0.0 110.756 -176.447 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 421' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -89.18 93.1 9.45 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.074 0.464 . . . . 0.0 110.145 177.036 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . 0.573 ' OD1' ' HG2' ' A' ' 425' ' ' LYS . 10.0 t70 -130.82 130.65 43.92 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.495 -179.905 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 83.3 mt -109.4 -13.47 14.59 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.702 -178.941 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . 0.608 ' O ' ' HG2' ' A' ' 428' ' ' ARG . 78.0 p -71.63 -39.76 70.18 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.326 179.643 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 425' ' ' LYS . . . . . 0.662 ' HB2' HD21 ' A' ' 416' ' ' LEU . 41.6 mmtm -71.12 -30.22 66.23 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 177.488 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 426' ' ' GLU . . . . . 0.487 ' O ' ' HG ' ' A' ' 429' ' ' LEU . 4.9 mm-40 -62.88 -51.31 67.49 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.321 179.112 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -67.96 -23.76 65.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.263 178.887 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 428' ' ' ARG . . . . . 0.609 ' HB3' HD22 ' A' ' 412' ' ' LEU . 24.1 mmm180 -75.75 -48.05 23.39 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.111 -179.36 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 429' ' ' LEU . . . . . 0.752 ' HB3' HD11 ' A' ' 412' ' ' LEU . 4.2 pp -62.79 -31.68 72.7 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.511 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 430' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -78.18 -29.36 48.48 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.466 179.748 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.623 ' O ' ' HG2' ' A' ' 434' ' ' ARG . 7.7 tp10 -69.1 -57.06 5.91 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 121.153 0.501 . . . . 0.0 109.825 -179.528 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.512 HG23 HD12 ' A' ' 409' ' ' LEU . 30.0 m -67.62 -25.89 34.04 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.959 179.796 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 433' ' ' GLN . . . . . 0.632 ' HB2' ' O ' ' A' ' 429' ' ' LEU . 6.6 tp-100 -59.49 -50.59 73.33 Favored 'General case' 0 CA--C 1.515 -0.369 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.756 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 434' ' ' ARG . . . . . 0.623 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 16.5 ptm180 -68.47 -32.67 72.83 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.375 -177.555 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 435' ' ' ILE . . . . . . . . . . . . . 78.6 mt -69.16 -57.17 9.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-N 116.603 -0.272 . . . . 0.0 111.119 -179.722 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 436' ' ' LEU . . . . . 0.496 ' O ' ' HG2' ' A' ' 440' ' ' LYS . 4.4 pp -61.44 -36.39 80.23 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-O 120.533 0.206 . . . . 0.0 111.006 -178.514 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 437' ' ' THR . . . . . 0.715 ' HA ' ' HE2' ' A' ' 440' ' ' LYS . 84.9 m -70.1 -49.21 53.11 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 121.111 -0.236 . . . . 0.0 110.991 179.338 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . 0.461 ' O ' ' HD3' ' A' ' 442' ' ' LYS . . . -62.95 -43.77 97.88 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.786 0.326 . . . . 0.0 110.518 -177.408 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.581 ' O ' ' HG ' ' A' ' 443' ' ' LEU . 23.1 tp -60.17 -53.58 55.99 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.632 -175.531 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 440' ' ' LYS . . . . . 0.715 ' HE2' ' HA ' ' A' ' 437' ' ' THR . 54.5 pttt -63.68 -35.44 80.57 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.721 -0.392 . . . . 0.0 111.428 -178.196 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 441' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -74.25 -41.5 61.19 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.524 -176.521 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 442' ' ' LYS . . . . . 0.461 ' HD3' ' O ' ' A' ' 438' ' ' ALA . 4.9 mptp? -74.74 -13.54 60.61 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.928 178.609 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 439' ' ' LEU . 46.0 mt -96.99 -14.12 21.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.467 176.535 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 444' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -113.77 -54.11 2.63 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -178.313 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -69.89 -26.17 64.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.815 0.34 . . . . 0.0 110.696 -174.61 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 446' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.373 -0.822 . . . . 0.0 110.685 -177.053 . . . . . . . . 0 0 . 1 stop_ save_