data_2lmg_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 2lmg _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 ' 538' ' ' ALA . . . . . 0.529 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 120.567 0.222 . . . . 0.0 110.49 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . 0.545 ' HE3' HG22 ' A' ' 585' ' ' THR . 13.7 tmtt? -64.17 -48.51 75.67 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 176.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -63.29 -41.22 98.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.11 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -62.12 -44.9 95.63 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.055 0.455 . . . . 0.0 110.7 177.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.694 ' HB3' HD23 ' A' ' 581' ' ' LEU . 0.3 OUTLIER -64.87 -47.31 78.34 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.688 -177.018 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 543' ' ' GLU . . . . . 0.652 ' HG3' HD12 ' A' ' 581' ' ' LEU . 8.5 tt0 -67.06 -42.14 85.27 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.53 -176.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 39.7 m -63.46 -42.01 98.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.229 177.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . 0.505 ' CD1' HD13 ' A' ' 599' ' ' LEU . 1.5 t80 -61.54 -49.13 77.95 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 178.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -64.53 -41.99 96.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.305 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -58.08 -43.48 87.06 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.63 175.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -61.23 -49.62 76.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.936 -178.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 549' ' ' MET . . . . . 0.473 ' HE3' ' HA ' ' A' ' 549' ' ' MET . 21.8 mmt -64.57 -42.63 95.53 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.405 0.621 . . . . 0.0 110.291 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 550' ' ' LYS . . . . . 0.592 ' O ' ' HB2' ' A' ' 554' ' ' GLU . 4.4 ttmm -59.51 -45.98 90.17 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.809 177.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 66.3 m -65.52 -35.41 80.78 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.435 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -67.42 -46.8 72.12 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -177.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 553' ' ' VAL . . . . . 0.731 HG13 HG13 ' A' ' 570' ' ' VAL . 35.0 m -74.92 -34.35 32.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.186 0.517 . . . . 0.0 111.108 -179.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 554' ' ' GLU . . . . . 0.592 ' HB2' ' O ' ' A' ' 550' ' ' LYS . 0.9 OUTLIER -86.37 1.19 52.1 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.776 179.521 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 555' ' ' ASP . . . . . 0.49 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 14.7 t70 -63.07 141.93 58.58 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 173.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -69.22 -13.71 62.56 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -173.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -103.2 -42.89 1.97 Allowed Glycine 0 N--CA 1.441 -0.991 0 C-N-CA 119.494 -1.336 . . . . 0.0 111.471 176.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . 0.921 HD22 ' HD2' ' A' ' 561' ' ' LYS . 17.3 mt -70.4 -14.73 62.68 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.56 0.219 . . . . 0.0 111.256 177.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . 0.452 ' HD3' ' N ' ' A' ' 560' ' ' GLY . 0.1 OUTLIER -61.76 -19.0 61.99 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.343 178.664 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 560' ' ' GLY . . . . . 0.452 ' N ' ' HD3' ' A' ' 559' ' ' LYS . . . -109.46 0.85 30.88 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.743 177.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 561' ' ' LYS . . . . . 0.921 ' HD2' HD22 ' A' ' 558' ' ' LEU . 82.5 mttt -96.36 -28.6 14.4 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.2 0.524 . . . . 0.0 110.203 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . 0.626 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.9 tt -105.98 156.78 6.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.407 177.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 563' ' ' SER . . . . . 0.432 ' N ' HG12 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -79.47 148.97 31.68 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 178.909 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -54.55 -44.73 73.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.818 0.342 . . . . 0.0 111.086 -173.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -59.49 -43.25 93.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.067 -177.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 566' ' ' ASP . . . . . 0.456 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 17.1 m-20 -67.07 -45.74 76.42 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.285 0.564 . . . . 0.0 109.876 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.434 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 52.0 tttm -54.34 -47.66 72.31 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.892 -1.049 . . . . 0.0 110.873 174.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -63.88 -49.36 73.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.887 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 569' ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 18.7 ptmt -64.85 -42.09 95.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.688 -172.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 570' ' ' VAL . . . . . 0.731 HG13 HG13 ' A' ' 553' ' ' VAL . 13.2 p -70.2 -40.55 78.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.685 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . 0.559 HD12 ' HG2' ' A' ' 554' ' ' GLU . 44.5 mt -60.37 -47.74 84.75 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.745 0.307 . . . . 0.0 110.592 177.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -62.38 -43.92 97.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.379 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 573' ' ' LYS . . . . . 0.665 ' CG ' HG12 ' A' ' 602' ' ' VAL . 49.1 tptt -64.68 -41.79 95.79 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.772 177.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 574' ' ' CYS . . . . . 0.403 ' SG ' HD23 ' A' ' 599' ' ' LEU . 67.1 m -62.18 -39.26 92.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.481 176.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.68 -36.16 81.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.479 175.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 576' ' ' GLU . . . . . 0.442 ' HB3' ' O ' ' A' ' 573' ' ' LYS . 1.5 tt0 -58.36 -56.36 23.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.163 177.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 577' ' ' VAL . . . . . 0.585 HG12 ' O ' ' A' ' 573' ' ' LYS . 1.4 p -66.56 -42.78 90.53 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.532 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.445 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 578' ' ' ILE . . . . . 0.417 ' HA ' HD13 ' A' ' 581' ' ' LEU . 24.3 mt -61.83 -41.74 91.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 111.706 0.262 . . . . 0.0 111.706 -178.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 20.9 t -72.02 -25.93 62.01 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.206 0.527 . . . . 0.0 110.273 177.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 580' ' ' TRP . . . . . 0.68 ' CZ2' ' HG3' ' A' ' 591' ' ' GLU . 57.8 t90 -77.44 -39.35 47.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.083 176.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 581' ' ' LEU . . . . . 0.694 HD23 ' HB3' ' A' ' 542' ' ' LEU . 38.9 mt -56.52 -45.32 81.17 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.417 0.627 . . . . 0.0 110.232 176.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -65.47 -22.2 66.72 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.754 -1.112 . . . . 0.0 110.714 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -97.78 -32.43 11.73 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.181 -175.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -123.36 55.06 1.24 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.124 0.488 . . . . 0.0 110.708 -175.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 585' ' ' THR . . . . . 0.545 HG22 ' HE3' ' A' ' 539' ' ' LYS . 7.3 p -67.11 -21.55 65.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.635 0.731 . . . . 0.0 110.435 174.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 586' ' ' LEU . . . . . 0.511 HD22 ' OG1' ' A' ' 585' ' ' THR . 2.2 mm? -90.91 5.4 48.77 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.521 -175.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 587' ' ' ALA . . . . . 0.465 ' HB3' ' HB3' ' A' ' 591' ' ' GLU . . . -62.43 157.31 20.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.436 177.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -75.48 166.26 23.85 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 176.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -56.35 -44.61 80.23 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.093 -177.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 590' ' ' ASP . . . . . 0.53 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 12.0 m-20 -62.89 -26.99 69.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.93 -176.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . 0.68 ' HG3' ' CZ2' ' A' ' 580' ' ' TRP . 17.5 tp10 -65.93 -43.81 86.98 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 592' ' ' PHE . . . . . 0.583 ' O ' HD23 ' A' ' 542' ' ' LEU . 89.3 m-85 -71.24 -40.15 71.22 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.85 176.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . 0.53 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 55.2 mm-40 -58.19 -42.05 85.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.973 0.416 . . . . 0.0 110.393 -179.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -71.4 -37.19 71.55 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.411 176.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 595' ' ' LYS . . . . . 0.428 ' HG2' HG22 ' A' ' 577' ' ' VAL . 7.5 tppt? -62.96 -36.81 84.69 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.141 0.496 . . . . 0.0 110.02 178.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 596' ' ' ARG . . . . . 0.6 ' HB2' HD23 ' A' ' 542' ' ' LEU . 17.7 ttp180 -60.16 -48.88 79.86 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.088 176.315 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . 0.602 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 32.6 mmtp -55.78 -43.36 76.69 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.663 177.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . 0.421 ' HB3' ' NZ ' ' A' ' 573' ' ' LYS . 45.0 mt-10 -60.02 -53.61 55.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.877 177.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.648 ' O ' HG11 ' A' ' 602' ' ' VAL . 2.0 tm? -60.25 -42.88 96.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.708 -178.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . 0.559 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 48.2 mt-10 -57.51 -44.8 85.33 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.917 177.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 601' ' ' GLN . . . . . 0.602 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 49.5 mt-30 -65.95 -28.44 68.91 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . 0.665 HG12 ' CG ' ' A' ' 573' ' ' LYS . 1.4 p -76.24 -40.68 36.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 120.309 -0.556 . . . . 0.0 110.811 178.024 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 603' ' ' CYS . . . . . 0.628 ' HB2' HD13 ' A' ' 607' ' ' ILE . 15.3 p -83.3 -27.28 29.91 Favored 'General case' 0 C--O 1.219 -0.5 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.584 -177.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 604' ' ' ASN . . . . . 0.598 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 23.3 t30 -50.39 -52.99 49.76 Favored Pre-proline 0 N--CA 1.471 0.622 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -177.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 605' ' ' PRO . . . . . 0.598 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 51.7 Cg_exo -60.48 -21.61 68.78 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 122.179 1.919 . . . . 0.0 112.453 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 606' ' ' ILE . . . . . 0.626 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -91.98 -41.32 12.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.36 -179.798 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 607' ' ' ILE . . . . . 0.628 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -68.31 -29.51 44.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 C-N-CA 123.279 0.632 . . . . 0.0 111.233 -178.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 4.1 p -67.49 -11.79 58.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.96 0.409 . . . . 0.0 111.595 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -116.94 17.32 13.03 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.402 176.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 610' ' ' LEU . . . . . 0.407 HD23 HD23 ' A' ' 558' ' ' LEU . 93.4 mt . . . . . 0 C--O 1.251 1.167 0 CA-C-O 118.712 -0.661 . . . . 0.0 110.514 -178.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 538' ' ' ALA . . . . . 0.717 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . . . . . . 0 C--O 1.226 -0.17 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . 0.756 ' HG2' HD22 ' A' ' 581' ' ' LEU . 9.3 tmtt? -66.43 -42.43 87.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.086 0.47 . . . . 0.0 109.979 178.209 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -62.62 -41.27 98.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.135 177.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -63.83 -47.52 80.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.585 175.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.793 ' HB3' HD23 ' A' ' 581' ' ' LEU . 0.3 OUTLIER -63.24 -47.87 80.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.826 -0.624 . . . . 0.0 112.234 -175.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 543' ' ' GLU . . . . . 0.667 ' HG3' HD12 ' A' ' 581' ' ' LEU . 9.8 tt0 -68.21 -38.9 82.42 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-N 116.341 -0.39 . . . . 0.0 109.997 -176.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 15.3 t -66.31 -41.09 90.21 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.818 176.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . 0.516 ' CD1' HD13 ' A' ' 599' ' ' LEU . 2.2 t80 -61.83 -48.89 78.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.985 178.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.05 -43.62 91.68 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.321 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.453 ' CD1' HD13 ' A' ' 578' ' ' ILE . 1.6 m-85 -57.55 -41.49 81.09 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.527 175.189 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 -61.57 -50.18 73.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.019 -178.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 549' ' ' MET . . . . . 0.425 ' HE3' ' HA ' ' A' ' 549' ' ' MET . 22.8 mmt -65.91 -42.29 90.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.634 0.731 . . . . 0.0 110.249 -179.103 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 550' ' ' LYS . . . . . 0.58 ' HG3' HD22 ' A' ' 571' ' ' LEU . 2.0 ttmm -59.62 -45.28 92.42 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.643 -1.162 . . . . 0.0 111.067 176.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 11.0 t -66.64 -37.02 83.96 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.926 178.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -62.76 -45.41 92.84 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -176.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 553' ' ' VAL . . . . . 0.557 HG13 HG13 ' A' ' 570' ' ' VAL . 35.9 m -76.25 -34.89 26.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.468 0.651 . . . . 0.0 111.206 -178.505 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 554' ' ' GLU . . . . . 0.52 ' HG2' HD12 ' A' ' 571' ' ' LEU . 0.3 OUTLIER -89.21 4.88 47.18 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.212 -0.904 . . . . 0.0 112.313 179.831 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 555' ' ' ASP . . . . . 0.58 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 31.9 t70 -65.71 138.34 57.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.354 0.597 . . . . 0.0 111.533 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 556' ' ' GLU . . . . . 0.402 ' C ' ' HG3' ' A' ' 559' ' ' LYS . 7.8 pt-20 -72.14 -8.86 57.06 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.017 -0.992 . . . . 0.0 113.111 -178.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . 0.54 ' O ' ' HE3' ' A' ' 561' ' ' LYS . . . -102.24 -36.44 3.61 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.547 -0.835 . . . . 0.0 111.101 175.147 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . 0.862 HD22 ' HD2' ' A' ' 561' ' ' LYS . 1.7 mt -80.58 4.04 19.84 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.183 -0.508 . . . . 0.0 112.06 178.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . 0.402 ' HG3' ' C ' ' A' ' 556' ' ' GLU . 0.0 OUTLIER -57.79 129.19 40.76 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.308 0.575 . . . . 0.0 110.889 176.848 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 87.14 -14.35 57.59 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.729 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 561' ' ' LYS . . . . . 0.862 ' HD2' HD22 ' A' ' 558' ' ' LEU . 82.1 mttt -78.18 -27.77 48.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.22 0.534 . . . . 0.0 110.174 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . 0.689 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.4 tt -117.1 153.25 18.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 174.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 21.3 t -81.35 156.39 25.5 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 564' ' ' GLU . . . . . 0.614 ' HB3' ' HE2' ' A' ' 568' ' ' LYS . 14.6 mm-40 -55.63 -46.29 77.45 Favored 'General case' 0 C--O 1.221 -0.409 0 O-C-N 123.023 0.202 . . . . 0.0 110.804 -174.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -57.7 -43.5 85.19 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -175.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 566' ' ' ASP . . . . . 0.48 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 6.5 m-20 -68.25 -46.69 69.78 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.487 ' HE3' ' HG2' ' A' ' 554' ' ' GLU . 75.2 tttt -54.78 -48.41 72.71 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.816 175.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . 0.614 ' HE2' ' HB3' ' A' ' 564' ' ' GLU . 65.3 mttm -63.26 -46.77 85.3 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.623 -179.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 569' ' ' LYS . . . . . 0.69 ' HZ1' ' HB2' ' A' ' 569' ' ' LYS . 0.0 OUTLIER -64.05 -42.56 96.99 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.32 -174.348 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 570' ' ' VAL . . . . . 0.557 HG13 HG13 ' A' ' 553' ' ' VAL . 12.5 p -70.6 -42.26 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.737 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . 0.58 HD22 ' HG3' ' A' ' 550' ' ' LYS . 28.4 mt -59.72 -45.92 90.69 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.606 0.241 . . . . 0.0 110.693 178.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -62.15 -47.35 84.95 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.45 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 573' ' ' LYS . . . . . 0.638 ' CG ' HG12 ' A' ' 602' ' ' VAL . 49.6 tptt -64.95 -39.94 94.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.012 179.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 574' ' ' CYS . . . . . 0.45 ' SG ' HD23 ' A' ' 599' ' ' LEU . 68.2 m -62.42 -41.31 98.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.968 0.413 . . . . 0.0 110.114 177.058 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -41.98 97.78 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.411 174.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -59.76 -52.6 64.79 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.074 -178.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 577' ' ' VAL . . . . . 0.697 HG22 HD11 ' A' ' 542' ' ' LEU . 1.5 p -66.83 -39.7 84.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.354 177.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 578' ' ' ILE . . . . . 0.643 ' HA ' HD13 ' A' ' 581' ' ' LEU . 14.4 mt -60.71 -41.46 88.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.864 0.364 . . . . 0.0 110.963 179.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 35.4 m -68.39 -32.02 71.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.821 0.343 . . . . 0.0 110.494 174.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 83.1 t90 -69.49 -37.66 77.32 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.697 178.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 581' ' ' LEU . . . . . 0.793 HD23 ' HB3' ' A' ' 542' ' ' LEU . 33.7 mt -59.58 -43.89 93.5 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.459 177.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -67.61 -33.82 75.75 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.322 178.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -82.33 -32.49 29.36 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.461 -0.79 . . . . 0.0 112.356 -175.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . 0.406 HD21 ' N ' ' A' ' 584' ' ' ASN . 0.9 OUTLIER -114.89 49.42 1.05 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.102 0.477 . . . . 0.0 110.22 -179.898 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.34 -21.43 65.29 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.341 0.591 . . . . 0.0 111.059 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 586' ' ' LEU . . . . . 0.434 ' N ' HD21 ' A' ' 586' ' ' LEU . 1.0 OUTLIER -96.62 5.9 49.79 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.044 -174.514 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 587' ' ' ALA . . . . . 0.458 ' HB3' ' HB2' ' A' ' 591' ' ' GLU . . . -67.55 157.06 35.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.107 0.48 . . . . 0.0 111.218 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -85.03 170.15 13.26 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.739 173.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 589' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 590' ' ' ASP . 18.6 pttp -57.12 -45.12 83.75 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -172.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 590' ' ' ASP . . . . . 0.556 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 2.9 m-20 -58.11 -31.54 67.24 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -177.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . 0.458 ' HB2' ' HB3' ' A' ' 587' ' ' ALA . 30.3 mm-40 -62.14 -47.93 82.36 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 177.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 592' ' ' PHE . . . . . 0.717 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 75.8 m-85 -66.96 -40.13 87.42 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 115.157 -0.928 . . . . 0.0 109.888 176.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . 0.556 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 33.2 mt-10 -59.0 -38.73 79.87 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.32 -177.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -69.37 -41.71 76.15 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.751 0.31 . . . . 0.0 110.409 175.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 595' ' ' LYS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 595' ' ' LYS . 13.4 tppt? -60.31 -36.34 77.68 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.526 176.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 596' ' ' ARG . . . . . 0.517 ' HB2' HD23 ' A' ' 542' ' ' LEU . 30.5 ttp180 -60.34 -41.77 94.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.722 178.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . 0.674 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 31.0 mmtp -61.27 -45.2 95.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.184 175.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -60.04 -54.53 44.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.495 0.664 . . . . 0.0 111.147 -178.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.645 ' O ' HG11 ' A' ' 602' ' ' VAL . 2.6 tm? -58.49 -42.15 86.93 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.228 -0.897 . . . . 0.0 109.568 178.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . 0.515 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 35.6 tt0 -56.45 -43.08 79.17 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.811 177.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 601' ' ' GLN . . . . . 0.674 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 24.1 mt-30 -67.47 -29.54 69.01 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 -178.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . 0.645 HG11 ' O ' ' A' ' 599' ' ' LEU . 1.6 p -75.74 -39.77 39.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.748 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 603' ' ' CYS . . . . . 0.598 ' HA ' HD11 ' A' ' 606' ' ' ILE . 9.5 p -83.41 -27.75 29.36 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.779 -178.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 604' ' ' ASN . . . . . 0.619 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 33.4 t30 -49.97 -54.43 32.82 Favored Pre-proline 0 CA--C 1.537 0.477 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -175.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 605' ' ' PRO . . . . . 0.619 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 52.7 Cg_exo -60.24 -26.84 83.6 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 122.107 1.871 . . . . 0.0 112.461 -179.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 606' ' ' ILE . . . . . 0.689 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -83.68 -40.64 16.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.692 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 607' ' ' ILE . . . . . 0.579 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.4 mp -65.0 -30.58 50.79 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.595 178.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 45.7 m -59.69 -23.22 62.95 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.598 177.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -110.27 7.52 30.65 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.241 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 610' ' ' LEU . . . . . 0.631 HD21 ' HB ' ' A' ' 562' ' ' ILE . 73.8 mt . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.583 -0.722 . . . . 0.0 110.453 -178.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 538' ' ' ALA . . . . . 0.854 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . . . . . . 0 N--CA 1.455 -0.192 0 CA-C-O 120.287 0.089 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . 0.747 ' HZ2' ' HB3' ' A' ' 581' ' ' LEU . 2.3 tmtm? -60.88 -48.8 80.15 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.08 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -62.83 -47.22 84.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.797 -177.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -60.17 -43.04 96.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.781 178.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.666 HD13 HD23 ' A' ' 581' ' ' LEU . 2.5 tm? -66.14 -47.82 72.81 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.289 -176.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 543' ' ' GLU . . . . . 0.952 ' HG3' HD12 ' A' ' 581' ' ' LEU . 7.2 tt0 -65.17 -47.83 75.63 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 120.865 0.364 . . . . 0.0 110.34 -177.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 16.3 m -59.68 -32.7 70.73 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.381 178.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . 0.503 ' CD1' HD13 ' A' ' 599' ' ' LEU . 3.2 t80 -66.13 -49.33 67.85 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 178.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.98 -41.11 91.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.201 0.524 . . . . 0.0 110.159 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.48 ' CD1' HD13 ' A' ' 578' ' ' ILE . 3.3 m-85 -57.33 -43.99 83.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.624 173.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 50.8 m-20 -59.66 -49.83 76.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.702 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 549' ' ' MET . . . . . 0.491 ' HE3' ' HA ' ' A' ' 549' ' ' MET . 22.0 mmt -66.68 -43.47 84.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.22 0.533 . . . . 0.0 110.612 -178.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 550' ' ' LYS . . . . . 0.654 ' HG3' HD22 ' A' ' 571' ' ' LEU . 6.7 ttmm -58.6 -47.72 83.37 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.91 176.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 14.1 t -66.16 -36.12 82.27 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.151 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -63.84 -45.94 87.27 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -177.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 553' ' ' VAL . . . . . 0.694 HG13 HG13 ' A' ' 570' ' ' VAL . 34.5 m -76.71 -34.85 24.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.312 0.577 . . . . 0.0 111.212 -178.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 554' ' ' GLU . . . . . 0.587 ' HG2' HD12 ' A' ' 571' ' ' LEU . 1.1 mm-40 -86.95 3.62 45.0 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.381 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 555' ' ' ASP . . . . . 0.623 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 24.2 t70 -64.03 142.08 58.54 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.148 179.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 556' ' ' GLU . . . . . 0.91 ' HA ' ' HE3' ' A' ' 559' ' ' LYS . 35.8 mt-10 -69.4 -18.43 63.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.265 -176.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -97.66 -33.12 5.97 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.386 -0.911 . . . . 0.0 111.02 178.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . 0.682 ' HA ' ' HG3' ' A' ' 561' ' ' LYS . 32.3 mt -86.15 -6.36 59.01 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . 0.91 ' HE3' ' HA ' ' A' ' 556' ' ' GLU . 19.6 ptpt -67.07 109.5 3.04 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.227 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 111.71 -22.65 18.97 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.504 -173.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 561' ' ' LYS . . . . . 0.682 ' HG3' ' HA ' ' A' ' 558' ' ' LEU . 50.6 mmtt -76.72 -36.55 57.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.398 0.618 . . . . 0.0 109.496 176.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . 0.744 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.5 tt -105.68 156.68 6.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.57 178.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 563' ' ' SER . . . . . 0.441 ' N ' HG12 ' A' ' 562' ' ' ILE . 21.2 m -78.24 149.1 33.67 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.179 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -45.25 69.87 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -175.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.95 98.45 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.221 -178.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 566' ' ' ASP . . . . . 0.578 ' HB3' ' HB ' ' A' ' 606' ' ' ILE . 13.8 m-20 -66.21 -45.01 82.25 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.476 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 71.2 tttt -54.68 -47.98 72.96 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.606 174.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -64.69 -49.15 72.07 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.08 -178.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 569' ' ' LYS . . . . . 0.545 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 12.5 ptmt -59.2 -45.18 91.74 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 120.797 0.332 . . . . 0.0 110.567 -174.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 570' ' ' VAL . . . . . 0.694 HG13 HG13 ' A' ' 553' ' ' VAL . 12.6 p -69.93 -42.78 79.79 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.901 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.839 -178.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . 0.654 HD22 ' HG3' ' A' ' 550' ' ' LYS . 37.6 mt -59.86 -46.73 88.38 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.848 0.356 . . . . 0.0 110.481 178.132 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 572' ' ' ASP . . . . . 0.566 ' O ' ' HG3' ' A' ' 576' ' ' GLU . 33.9 t70 -61.47 -48.66 80.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.373 -178.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 573' ' ' LYS . . . . . 0.647 ' O ' HG12 ' A' ' 577' ' ' VAL . 46.1 tptt -63.07 -41.37 99.41 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.728 178.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 574' ' ' CYS . . . . . 0.417 ' SG ' HD23 ' A' ' 599' ' ' LEU . 92.3 m -62.98 -38.91 93.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.94 0.4 . . . . 0.0 110.699 178.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . 0.439 ' HG2' ' HE3' ' A' ' 550' ' ' LYS . 2.1 mm-40 -66.35 -41.72 89.13 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.873 176.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 576' ' ' GLU . . . . . 0.566 ' HG3' ' O ' ' A' ' 572' ' ' ASP . 61.2 mt-10 -59.75 -50.64 73.02 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 123.448 0.468 . . . . 0.0 110.695 178.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 577' ' ' VAL . . . . . 0.663 HG22 ' HG2' ' A' ' 595' ' ' LYS . 2.4 p -66.59 -37.86 80.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.427 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 578' ' ' ILE . . . . . 0.491 ' HA ' HD13 ' A' ' 581' ' ' LEU . 13.3 mt -65.47 -39.58 85.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 122.249 -0.282 . . . . 0.0 111.272 178.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 24.7 p -71.6 -26.46 62.6 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 121.185 0.517 . . . . 0.0 110.446 174.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 580' ' ' TRP . . . . . 0.522 ' CE2' ' HE2' ' A' ' 595' ' ' LYS . 63.9 t90 -68.42 -40.83 81.09 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 175.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 581' ' ' LEU . . . . . 0.952 HD12 ' HG3' ' A' ' 543' ' ' GLU . 15.3 mt -60.59 -49.28 78.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.817 -1.083 . . . . 0.0 112.013 179.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -61.0 -21.51 63.64 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.493 0.663 . . . . 0.0 110.485 178.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -94.66 -3.77 48.84 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.902 -177.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . 0.808 ' ND2' ' HA ' ' A' ' 581' ' ' LEU . 0.1 OUTLIER -144.58 51.06 1.27 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.672 0.748 . . . . 0.0 111.549 -176.222 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 585' ' ' THR . . . . . 0.407 ' OG1' HD22 ' A' ' 586' ' ' LEU . 15.3 p -62.97 -15.25 55.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.812 -0.555 . . . . 0.0 111.652 -177.209 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 586' ' ' LEU . . . . . 0.407 HD22 ' OG1' ' A' ' 585' ' ' THR . 1.6 mm? -113.74 7.41 17.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.393 -178.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 587' ' ' ALA . . . . . 0.413 ' HB1' ' O ' ' A' ' 584' ' ' ASN . . . -49.69 153.39 1.23 Allowed 'General case' 0 C--O 1.236 0.346 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -177.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -58.21 144.78 39.61 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 172.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 28.5 pttt -61.77 -36.0 79.77 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.006 -175.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 590' ' ' ASP . . . . . 0.412 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 2.8 m-20 -62.97 -24.94 68.13 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.468 176.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . 0.527 ' HA ' ' OE1' ' A' ' 591' ' ' GLU . 0.5 OUTLIER -65.16 -44.45 88.49 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 120.319 -0.552 . . . . 0.0 110.456 177.925 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 592' ' ' PHE . . . . . 0.854 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 65.9 m-85 -66.47 -32.5 73.91 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.555 177.199 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . 0.544 ' O ' ' HG2' ' A' ' 597' ' ' LYS . 50.1 mm-40 -66.28 -48.92 68.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.893 176.17 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . 0.441 ' O ' ' HG3' ' A' ' 598' ' ' GLU . 24.6 m170 -63.54 -47.62 80.86 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 121.134 0.492 . . . . 0.0 109.824 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 595' ' ' LYS . . . . . 0.664 ' HB2' ' HZ2' ' A' ' 595' ' ' LYS . 0.2 OUTLIER -61.29 -34.43 75.2 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.198 -177.579 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 596' ' ' ARG . . . . . 0.481 ' HB2' ' O ' ' A' ' 592' ' ' PHE . 10.5 ttm180 -62.43 -39.97 95.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.688 177.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . 0.582 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 22.0 mmtp -66.5 -40.82 89.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.769 177.203 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 594' ' ' HIS . 51.0 mt-10 -60.36 -55.16 37.0 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.889 0.852 . . . . 0.0 110.843 177.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.621 ' O ' HG11 ' A' ' 602' ' ' VAL . 2.5 tm? -58.26 -41.62 84.69 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.573 -1.194 . . . . 0.0 109.384 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . 0.607 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 27.3 tt0 -58.2 -41.17 83.39 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.083 178.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 601' ' ' GLN . . . . . 0.582 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 85.9 mt-30 -69.31 -27.56 65.49 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -179.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . 0.642 HG12 ' HG2' ' A' ' 573' ' ' LYS . 1.3 p -75.06 -39.02 43.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 C-N-CA 120.164 -0.614 . . . . 0.0 110.353 177.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 603' ' ' CYS . . . . . 0.66 ' HB2' HD13 ' A' ' 607' ' ' ILE . 25.0 p -82.57 -25.97 32.81 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.3 -178.527 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 604' ' ' ASN . . . . . 0.621 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 49.7 t30 -50.27 -54.47 33.81 Favored Pre-proline 0 CA--C 1.539 0.536 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -174.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 605' ' ' PRO . . . . . 0.621 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 45.9 Cg_exo -61.23 -21.71 72.51 Favored 'Trans proline' 0 C--N 1.359 1.121 0 C-N-CA 122.043 1.829 . . . . 0.0 112.361 -178.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 606' ' ' ILE . . . . . 0.744 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -90.0 -39.68 12.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.103 -178.561 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 607' ' ' ILE . . . . . 0.66 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.2 mp -64.59 -24.55 35.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.283 -178.319 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 16.6 m -55.67 -28.47 55.68 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.796 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -118.14 23.24 9.33 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.514 -0.85 . . . . 0.0 112.741 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 610' ' ' LEU . . . . . 0.678 HD21 ' HB ' ' A' ' 562' ' ' ILE . 50.0 mt . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.515 -0.755 . . . . 0.0 110.458 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 538' ' ' ALA . . . . . 0.749 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . . . . . . 0 CA--C 1.529 0.138 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . 0.566 ' HE2' ' HB3' ' A' ' 581' ' ' LEU . 13.3 tmtt? -61.06 -46.93 88.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.116 0.484 . . . . 0.0 110.154 178.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -63.72 -45.47 89.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.635 -179.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -63.16 -42.51 99.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.83 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.751 HD13 HG22 ' A' ' 577' ' ' VAL . 0.5 OUTLIER -61.92 -47.23 85.85 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.456 -178.478 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 543' ' ' GLU . . . . . 0.678 ' HG3' HD12 ' A' ' 581' ' ' LEU . 3.3 tt0 -63.22 -49.17 75.24 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.189 -179.339 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 42.9 m -62.74 -33.1 74.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.042 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . 0.592 ' CD1' HD13 ' A' ' 599' ' ' LEU . 3.0 t80 -67.77 -49.76 60.76 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 178.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -66.1 -43.27 87.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.603 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.432 ' CD1' HD13 ' A' ' 578' ' ' ILE . 2.6 m-85 -57.29 -41.12 79.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.572 175.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -63.69 -49.48 72.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.572 -178.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 549' ' ' MET . . . . . 0.459 ' HE3' ' HA ' ' A' ' 549' ' ' MET . 18.3 mmt -65.49 -43.66 89.53 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.343 0.592 . . . . 0.0 110.211 -178.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 550' ' ' LYS . . . . . 0.572 ' HG3' HD22 ' A' ' 571' ' ' LEU . 3.5 ttmm -57.88 -47.62 82.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.167 177.294 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 21.7 t -66.37 -37.33 85.05 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.9 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -63.27 -45.91 89.3 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -177.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 553' ' ' VAL . . . . . 0.709 HG13 HG13 ' A' ' 570' ' ' VAL . 34.4 m -76.69 -35.19 24.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.307 0.575 . . . . 0.0 111.308 -178.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 554' ' ' GLU . . . . . 0.597 ' HA ' ' HE3' ' A' ' 567' ' ' LYS . 0.2 OUTLIER -85.63 3.32 41.39 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.844 -179.723 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 555' ' ' ASP . . . . . 0.629 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 17.0 t70 -69.74 133.43 47.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.018 176.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 556' ' ' GLU . . . . . 0.907 ' HA ' ' HE3' ' A' ' 559' ' ' LYS . 40.9 mt-10 -70.51 -9.5 56.8 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.493 -175.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -100.52 -32.72 5.35 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.558 -0.829 . . . . 0.0 111.188 176.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . 0.978 HD22 ' HD2' ' A' ' 561' ' ' LYS . 4.1 mt -83.23 -15.27 51.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.497 -0.351 . . . . 0.0 111.664 179.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . 0.907 ' HE3' ' HA ' ' A' ' 556' ' ' GLU . 19.4 ptpt -61.06 128.32 35.85 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 172.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 103.29 -31.36 8.81 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.406 -0.902 . . . . 0.0 111.334 -173.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 561' ' ' LYS . . . . . 0.978 ' HD2' HD22 ' A' ' 558' ' ' LEU . 84.3 mttt -74.49 -36.09 63.26 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 173.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . 0.809 ' HB ' HD21 ' A' ' 610' ' ' LEU . 5.6 tt -107.76 153.68 9.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.226 175.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 20.0 m -82.36 149.92 27.45 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 176.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -54.53 -43.74 72.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.516 0.198 . . . . 0.0 111.202 -175.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -57.62 -43.31 84.68 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.588 -178.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 566' ' ' ASP . . . . . 0.53 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 14.1 m-20 -67.4 -46.13 74.15 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.128 0.489 . . . . 0.0 109.846 178.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.606 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 77.0 tttt -54.84 -48.01 73.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.852 175.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . 0.546 ' HZ2' ' HB3' ' A' ' 568' ' ' LYS . 9.8 mtpm? -65.18 -44.8 87.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.762 -178.025 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 569' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 4.8 ptmt -65.72 -43.18 89.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.361 -175.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 570' ' ' VAL . . . . . 0.709 HG13 HG13 ' A' ' 553' ' ' VAL . 12.1 p -69.85 -39.88 78.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.131 -179.291 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . 0.572 HD22 ' HG3' ' A' ' 550' ' ' LYS . 32.7 mt -61.24 -47.31 86.66 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.832 0.348 . . . . 0.0 110.661 178.008 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -63.07 -42.84 99.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.929 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 573' ' ' LYS . . . . . 0.655 ' CG ' HG12 ' A' ' 602' ' ' VAL . 50.7 tptt -66.07 -42.43 89.42 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.955 177.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 574' ' ' CYS . . . . . 0.478 ' HG ' HG22 ' A' ' 570' ' ' VAL . 94.9 m -61.14 -38.83 87.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.161 0.505 . . . . 0.0 110.376 176.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.49 -36.36 82.55 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.808 176.232 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.39 -56.89 16.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.339 177.129 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 577' ' ' VAL . . . . . 0.751 HG22 HD13 ' A' ' 542' ' ' LEU . 1.4 p -65.27 -41.18 90.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.5 -178.578 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 578' ' ' ILE . . . . . 0.686 ' HA ' HD13 ' A' ' 581' ' ' LEU . 17.5 mt -61.13 -44.1 97.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.65 0.262 . . . . 0.0 111.357 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 20.3 m -68.7 -31.3 70.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.066 0.46 . . . . 0.0 110.131 176.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 580' ' ' TRP . . . . . 0.601 ' CZ2' ' HG3' ' A' ' 591' ' ' GLU . 67.8 t90 -72.18 -36.49 69.27 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.96 179.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 581' ' ' LEU . . . . . 0.737 HD23 ' HB3' ' A' ' 542' ' ' LEU . 35.9 mt -58.5 -44.16 89.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.718 0.77 . . . . 0.0 110.339 176.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -71.61 -21.33 61.86 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.829 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -96.45 -32.95 12.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 112.124 -176.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . 0.498 ' O ' ' HB1' ' A' ' 587' ' ' ALA . 3.1 m-20 -118.68 47.47 1.63 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.326 0.584 . . . . 0.0 109.528 178.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 585' ' ' THR . . . . . 0.523 HG21 ' HE3' ' A' ' 539' ' ' LYS . 0.2 OUTLIER -61.74 -20.67 63.78 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.204 179.015 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -98.7 6.8 46.73 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.786 -177.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 587' ' ' ALA . . . . . 0.498 ' HB1' ' O ' ' A' ' 584' ' ' ASN . . . -56.9 158.57 4.72 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.997 177.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -76.33 160.75 29.32 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.767 177.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 589' ' ' LYS . . . . . 0.456 ' HZ1' ' HB2' ' A' ' 589' ' ' LYS . 0.1 OUTLIER -57.29 -44.24 83.89 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.921 0.391 . . . . 0.0 111.344 -175.303 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 590' ' ' ASP . . . . . 0.428 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 5.9 p-10 -64.78 -24.98 67.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.791 179.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . 0.601 ' HG3' ' CZ2' ' A' ' 580' ' ' TRP . 5.8 tp10 -62.79 -49.33 75.37 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 176.092 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 592' ' ' PHE . . . . . 0.749 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 94.5 m-85 -63.99 -40.82 97.22 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.088 177.219 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . 0.552 ' O ' ' HG2' ' A' ' 597' ' ' LYS . 5.9 mm-40 -59.65 -38.5 81.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.4 -178.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -65.88 -38.36 88.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.876 0.37 . . . . 0.0 110.308 174.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 595' ' ' LYS . . . . . 0.456 ' HD3' ' HA ' ' A' ' 595' ' ' LYS . 5.7 tppt? -66.6 -36.43 82.59 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.119 178.104 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 596' ' ' ARG . . . . . 0.571 ' HB2' HD23 ' A' ' 542' ' ' LEU . 41.1 ttp85 -60.49 -37.32 80.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.596 177.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . 0.596 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 28.7 mmtp -69.51 -43.65 72.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.356 176.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -59.73 -53.11 61.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.213 0.53 . . . . 0.0 111.325 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.692 ' O ' HG11 ' A' ' 602' ' ' VAL . 2.2 tm? -59.94 -42.34 93.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.374 -179.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . 0.565 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 38.4 tt0 -57.47 -45.91 84.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.082 176.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 601' ' ' GLN . . . . . 0.596 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 77.7 mt-30 -63.7 -29.39 70.62 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . 0.692 HG11 ' O ' ' A' ' 599' ' ' LEU . 1.4 p -76.33 -39.6 34.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.521 178.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 603' ' ' CYS . . . . . 0.652 ' HB2' HD13 ' A' ' 607' ' ' ILE . 25.4 p -83.31 -26.73 30.34 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.657 -177.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 604' ' ' ASN . . . . . 0.582 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 18.7 t30 -49.68 -53.52 40.76 Favored Pre-proline 0 CA--C 1.541 0.61 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -176.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 605' ' ' PRO . . . . . 0.582 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 53.1 Cg_exo -59.49 -24.7 75.97 Favored 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 122.085 1.856 . . . . 0.0 112.035 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 606' ' ' ILE . . . . . 0.693 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -89.74 -40.62 13.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.119 -177.753 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 607' ' ' ILE . . . . . 0.652 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -67.19 -29.83 47.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.483 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 50.1 m -62.94 -23.48 67.41 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.858 176.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -101.81 -9.19 43.72 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.911 -0.661 . . . . 0.0 111.984 177.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 610' ' ' LEU . . . . . 0.809 HD21 ' HB ' ' A' ' 562' ' ' ILE . 78.9 mt . . . . . 0 C--O 1.246 0.871 0 CA-C-O 118.477 -0.773 . . . . 0.0 110.216 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 538' ' ' ALA . . . . . 0.493 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . . . . . . 0 C--O 1.226 -0.144 0 CA-C-O 120.343 0.116 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -66.18 -45.44 80.85 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 177.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -64.47 -46.72 81.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.17 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -58.0 -48.79 78.95 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.994 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.688 ' HB3' HD23 ' A' ' 581' ' ' LEU . 0.5 OUTLIER -61.28 -47.56 85.44 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.641 -177.698 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 543' ' ' GLU . . . . . 0.669 ' HG3' HD12 ' A' ' 581' ' ' LEU . 8.9 tt0 -68.33 -45.93 71.58 Favored 'General case' 0 N--CA 1.439 -1.017 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.475 -176.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 18.9 t -65.54 -36.96 85.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.122 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . 0.576 ' CD1' HD13 ' A' ' 599' ' ' LEU . 1.4 t80 -61.76 -49.45 76.35 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 176.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.74 -40.42 92.12 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.639 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.417 ' CD1' HD13 ' A' ' 578' ' ' ILE . 3.7 m-85 -59.11 -44.39 91.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.206 173.553 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 61.8 m-20 -61.7 -47.32 85.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.886 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 549' ' ' MET . . . . . 0.559 ' HE3' ' HA ' ' A' ' 549' ' ' MET . 28.1 mmt -64.77 -43.77 92.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.373 0.606 . . . . 0.0 110.403 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 550' ' ' LYS . . . . . 0.73 ' HG3' HD22 ' A' ' 571' ' ' LEU . 4.7 ttmm -59.64 -45.53 91.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.935 -1.03 . . . . 0.0 110.844 176.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 58.0 m -66.81 -34.98 79.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.684 177.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -65.74 -45.82 81.19 Favored 'General case' 0 C--O 1.224 -0.289 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -176.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 553' ' ' VAL . . . . . 0.925 HG11 HG13 ' A' ' 570' ' ' VAL . 26.4 m -75.03 -34.61 32.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.618 0.723 . . . . 0.0 111.186 -179.15 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 554' ' ' GLU . . . . . 0.506 ' HB2' ' O ' ' A' ' 550' ' ' LYS . 1.6 mm-40 -86.54 3.53 43.82 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.363 178.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 555' ' ' ASP . . . . . 0.439 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 28.8 t70 -68.53 141.87 55.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.772 178.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -69.77 -12.93 62.01 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -176.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . 0.518 ' O ' ' HE3' ' A' ' 561' ' ' LYS . . . -100.91 -28.23 7.04 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.505 -0.855 . . . . 0.0 111.686 178.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . 0.963 HD22 ' HD2' ' A' ' 561' ' ' LYS . 10.4 mt -98.27 -6.09 31.77 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 111.609 0.226 . . . . 0.0 111.609 -179.037 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -56.92 -37.53 71.6 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -177.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . -93.81 -6.61 62.0 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.034 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 561' ' ' LYS . . . . . 0.963 ' HD2' HD22 ' A' ' 558' ' ' LEU . 85.1 mttt -81.92 -34.6 29.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.108 0.48 . . . . 0.0 110.529 -178.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . 0.841 ' HB ' HD21 ' A' ' 610' ' ' LEU . 5.5 tt -106.92 153.57 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.604 -177.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 563' ' ' SER . . . . . 0.445 ' HB3' ' OD2' ' A' ' 566' ' ' ASP . 32.9 t -82.17 155.13 25.13 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.169 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 564' ' ' GLU . . . . . 0.407 ' HB3' ' HE3' ' A' ' 568' ' ' LYS . 29.9 mt-10 -54.88 -48.16 73.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.611 0.243 . . . . 0.0 111.065 -175.121 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -57.74 -42.54 84.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.246 -176.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 566' ' ' ASP . . . . . 0.482 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 21.5 m-20 -67.22 -49.73 63.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.33 0.586 . . . . 0.0 109.78 179.193 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.585 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 81.2 tttt -53.93 -47.78 70.87 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.758 -1.11 . . . . 0.0 111.228 176.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . 0.407 ' HE3' ' HB3' ' A' ' 564' ' ' GLU . 94.9 mttt -63.46 -47.18 82.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.577 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 569' ' ' LYS . . . . . 0.574 ' HZ2' ' HB2' ' A' ' 569' ' ' LYS . 0.0 OUTLIER -64.28 -41.76 96.74 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.3 -173.475 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 570' ' ' VAL . . . . . 0.925 HG13 HG11 ' A' ' 553' ' ' VAL . 12.6 p -70.95 -42.15 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.307 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . 0.73 HD22 ' HG3' ' A' ' 550' ' ' LYS . 20.0 mt -59.01 -49.43 77.91 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.266 0.555 . . . . 0.0 110.228 177.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -61.31 -45.1 95.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.329 -178.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 573' ' ' LYS . . . . . 0.645 ' CG ' HG12 ' A' ' 602' ' ' VAL . 47.5 tptt -64.75 -42.23 95.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.851 177.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 574' ' ' CYS . . . . . 0.478 ' HG ' HG22 ' A' ' 570' ' ' VAL . 99.2 m -59.86 -38.53 82.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.567 177.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -66.78 -38.74 87.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.116 177.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -59.32 -53.89 53.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.792 0.33 . . . . 0.0 110.917 178.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 577' ' ' VAL . . . . . 0.581 ' O ' ' HG ' ' A' ' 581' ' ' LEU . 1.5 p -64.05 -40.66 89.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.996 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 578' ' ' ILE . . . . . 0.441 ' HA ' HD13 ' A' ' 581' ' ' LEU . 19.7 mt -62.74 -43.92 99.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-O 120.772 0.32 . . . . 0.0 111.692 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 15.8 t -69.56 -25.1 63.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.157 0.503 . . . . 0.0 110.204 176.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 85.3 t90 -75.05 -37.05 61.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.817 -0.628 . . . . 0.0 109.668 176.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 581' ' ' LEU . . . . . 0.689 ' HA ' ' ND2' ' A' ' 584' ' ' ASN . 37.4 mt -61.18 -42.19 98.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.366 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -63.91 -33.97 76.91 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.349 0.595 . . . . 0.0 109.885 175.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -81.07 -33.7 33.23 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.263 -0.881 . . . . 0.0 112.452 -173.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . 0.689 ' ND2' ' HA ' ' A' ' 581' ' ' LEU . 0.1 OUTLIER -98.28 43.65 1.06 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.435 0.636 . . . . 0.0 111.177 -176.343 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.67 -12.1 14.72 Favored 'General case' 0 C--N 1.315 -0.898 0 O-C-N 122.011 -0.43 . . . . 0.0 111.976 -174.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -109.6 5.65 23.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.368 -179.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -66.61 155.96 36.42 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.369 0.604 . . . . 0.0 110.967 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -99.47 176.17 5.59 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.985 175.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -55.51 -45.18 77.11 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -169.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 590' ' ' ASP . . . . . 0.642 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 10.1 p-10 -66.39 -24.96 66.57 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -175.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -63.93 -48.98 74.42 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.215 0.531 . . . . 0.0 109.727 172.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 592' ' ' PHE . . . . . 0.567 ' O ' HD23 ' A' ' 542' ' ' LEU . 88.2 m-85 -64.23 -41.84 96.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.748 176.348 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . 0.642 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 38.2 mm-40 -59.38 -42.79 92.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.294 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -59.53 -43.43 93.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.046 0.451 . . . . 0.0 110.283 174.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 595' ' ' LYS . . . . . 0.719 ' HE2' ' OE1' ' A' ' 598' ' ' GLU . 0.1 OUTLIER -68.76 -36.56 78.5 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.241 -176.437 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 596' ' ' ARG . . . . . 0.68 ' HB2' HD23 ' A' ' 542' ' ' LEU . 49.8 ttp85 -57.25 -44.82 84.21 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.33 177.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . 0.66 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 22.6 mmmt -60.19 -43.42 95.92 Favored 'General case' 0 CA--C 1.523 -0.089 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.906 178.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . 0.719 ' OE1' ' HE2' ' A' ' 595' ' ' LYS . 51.8 mt-10 -59.31 -55.62 32.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.867 179.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.649 ' O ' HG11 ' A' ' 602' ' ' VAL . 2.0 tm? -59.26 -42.51 91.31 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.788 -1.096 . . . . 0.0 109.714 -177.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . 0.582 ' HG3' ' O ' ' A' ' 596' ' ' ARG . 44.2 mt-10 -56.14 -45.27 79.65 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 116.775 -0.193 . . . . 0.0 110.509 175.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 601' ' ' GLN . . . . . 0.66 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 50.2 mt-30 -65.8 -29.48 69.97 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -177.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . 0.649 HG11 ' O ' ' A' ' 599' ' ' LEU . 1.7 p -76.01 -39.14 36.55 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.574 178.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 603' ' ' CYS . . . . . 0.683 ' HB2' HD13 ' A' ' 607' ' ' ILE . 22.1 p -82.53 -26.51 32.41 Favored 'General case' 0 C--O 1.219 -0.515 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.454 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 604' ' ' ASN . . . . . 0.594 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 26.7 t30 -50.11 -54.06 37.27 Favored Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -176.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 605' ' ' PRO . . . . . 0.594 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 44.2 Cg_exo -60.75 -22.31 72.89 Favored 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 122.301 2.001 . . . . 0.0 112.365 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 606' ' ' ILE . . . . . 0.742 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -91.19 -40.35 12.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.14 -178.688 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 607' ' ' ILE . . . . . 0.683 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.2 mp -65.65 -30.01 48.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.178 -178.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 6.7 p -66.67 -16.89 64.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.815 0.34 . . . . 0.0 111.025 177.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -113.53 11.14 23.7 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.21 178.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 610' ' ' LEU . . . . . 0.841 HD21 ' HB ' ' A' ' 562' ' ' ILE . 48.1 mt . . . . . 0 C--O 1.251 1.151 0 CA-C-O 118.621 -0.704 . . . . 0.0 110.605 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 538' ' ' ALA . . . . . 0.658 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . . . . . . 0 C--O 1.222 -0.393 0 CA-C-O 119.888 -0.101 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . 0.644 ' HZ1' ' HB3' ' A' ' 581' ' ' LEU . 3.7 tmtm? -56.5 -47.54 79.06 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -65.61 -47.55 75.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.261 -177.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 541' ' ' ALA . . . . . 0.453 ' O ' ' HB2' ' A' ' 545' ' ' TYR . . . -64.57 -40.7 96.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.986 0.422 . . . . 0.0 110.587 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.756 HD13 HD23 ' A' ' 581' ' ' LEU . 2.8 tm? -65.37 -48.16 73.89 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.398 -177.25 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 543' ' ' GLU . . . . . 0.85 ' HG3' HD12 ' A' ' 581' ' ' LEU . 21.5 tt0 -68.86 -47.86 64.88 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 120.577 0.227 . . . . 0.0 110.795 -176.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 544' ' ' SER . . . . . 0.484 ' O ' ' HB2' ' A' ' 548' ' ' ASN . 21.5 m -62.73 -29.39 70.64 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.284 178.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . 0.522 ' CD1' HD13 ' A' ' 599' ' ' LEU . 2.4 t80 -61.76 -49.7 75.36 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.371 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -66.09 -43.06 88.39 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.363 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.486 ' CD1' HD13 ' A' ' 578' ' ' ILE . 3.9 m-85 -56.64 -39.09 73.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.81 175.185 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 548' ' ' ASN . . . . . 0.484 ' HB2' ' O ' ' A' ' 544' ' ' SER . 2.5 t-20 -67.41 -49.05 65.47 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.094 -175.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 549' ' ' MET . . . . . 0.438 ' HE3' ' HA ' ' A' ' 549' ' ' MET . 22.1 mmt -65.51 -42.84 91.63 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.431 0.634 . . . . 0.0 109.974 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 550' ' ' LYS . . . . . 0.558 ' HG3' HD22 ' A' ' 571' ' ' LEU . 2.3 ttmm -58.35 -46.54 86.06 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.816 -1.084 . . . . 0.0 111.062 176.179 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 20.0 t -65.83 -36.18 82.75 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.031 178.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -64.17 -45.94 86.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.733 -177.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 553' ' ' VAL . . . . . 0.644 HG13 HG13 ' A' ' 570' ' ' VAL . 34.1 m -76.88 -35.27 23.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.147 0.499 . . . . 0.0 111.449 -178.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 554' ' ' GLU . . . . . 0.562 ' HG2' HD12 ' A' ' 571' ' ' LEU . 0.9 OUTLIER -85.64 3.98 38.45 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.05 179.626 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 555' ' ' ASP . . . . . 0.585 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 13.0 t70 -64.67 136.05 56.56 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 172.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 556' ' ' GLU . . . . . 0.682 ' HA ' ' HE3' ' A' ' 559' ' ' LYS . 1.8 pm0 -69.57 -12.0 61.29 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -172.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -101.49 -35.26 4.16 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 119.977 -1.106 . . . . 0.0 111.04 177.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . 0.766 ' HA ' ' HG3' ' A' ' 561' ' ' LYS . 29.3 mt -78.37 -17.19 56.83 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.534 -0.333 . . . . 0.0 111.479 179.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . 0.682 ' HE3' ' HA ' ' A' ' 556' ' ' GLU . 22.2 pttp -71.92 98.62 2.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.875 0.845 . . . . 0.0 109.533 173.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 127.93 -29.59 4.13 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 110.075 -1.21 . . . . 0.0 110.075 -170.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 561' ' ' LYS . . . . . 0.766 ' HG3' ' HA ' ' A' ' 558' ' ' LEU . 28.5 mmtm -73.99 -37.32 64.47 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 171.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . 0.758 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.5 tt -105.64 152.15 7.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 114.414 -1.267 . . . . 0.0 109.342 177.256 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 563' ' ' SER . . . . . 0.402 ' HB3' ' OD1' ' A' ' 566' ' ' ASP . 32.8 t -71.25 147.63 48.02 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 177.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -58.67 -35.63 72.88 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.249 -177.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -60.59 -43.33 97.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.564 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 566' ' ' ASP . . . . . 0.624 ' HB3' ' HB ' ' A' ' 606' ' ' ILE . 7.9 m-20 -70.0 -44.98 68.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.08 0.466 . . . . 0.0 109.958 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.579 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 52.7 tttm -54.67 -47.87 73.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.958 174.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -65.6 -49.13 69.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.862 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 569' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 18.5 ptmt -61.62 -43.3 99.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.395 -174.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 570' ' ' VAL . . . . . 0.644 HG13 HG13 ' A' ' 553' ' ' VAL . 11.6 p -70.73 -40.34 76.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.886 -179.093 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . 0.562 HD12 ' HG2' ' A' ' 554' ' ' GLU . 35.5 mt -60.68 -47.36 86.59 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.744 0.306 . . . . 0.0 110.431 177.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -59.57 -47.26 86.26 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.414 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 573' ' ' LYS . . . . . 0.668 ' CG ' HG12 ' A' ' 602' ' ' VAL . 49.6 tptt -64.62 -41.61 96.07 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.83 178.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 574' ' ' CYS . . . . . 0.498 ' HG ' HG22 ' A' ' 570' ' ' VAL . 97.5 m -61.34 -38.41 86.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.905 0.383 . . . . 0.0 110.452 177.573 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -66.8 -36.88 83.42 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.037 175.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.54 -55.28 37.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.954 0.406 . . . . 0.0 110.254 176.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 577' ' ' VAL . . . . . 0.649 HG12 ' O ' ' A' ' 573' ' ' LYS . 1.3 p -66.21 -41.85 89.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.741 -178.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 578' ' ' ILE . . . . . 0.528 ' HA ' HD13 ' A' ' 581' ' ' LEU . 21.0 mt -63.2 -40.19 88.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 111.525 0.194 . . . . 0.0 111.525 -179.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 56.3 m -70.38 -30.81 67.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 110.557 175.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 51.3 t90 -68.7 -37.81 79.82 Favored 'General case' 0 C--O 1.222 -0.385 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 581' ' ' LEU . . . . . 0.85 HD12 ' HG3' ' A' ' 543' ' ' GLU . 16.1 mt -59.53 -48.04 83.2 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.225 176.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -64.87 -34.22 77.86 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.455 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -82.03 -31.42 30.98 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.598 -178.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . 0.443 ' O ' ' HB1' ' A' ' 587' ' ' ALA . 5.2 m-20 -119.62 52.97 1.07 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.363 -176.58 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 1.3 p -67.28 -19.83 65.55 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.656 0.741 . . . . 0.0 110.773 173.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -90.13 5.18 47.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.752 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 587' ' ' ALA . . . . . 0.443 ' HB1' ' O ' ' A' ' 584' ' ' ASN . . . -67.16 151.48 47.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.333 177.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -86.62 171.29 11.11 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.018 177.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 52.7 pttt -54.8 -45.08 74.32 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -171.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 590' ' ' ASP . . . . . 0.439 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 3.2 m-20 -61.34 -29.4 69.87 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.329 -177.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . 0.524 ' HA ' ' OE1' ' A' ' 591' ' ' GLU . 2.9 mm-40 -64.4 -44.46 91.21 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 120.584 -0.447 . . . . 0.0 110.596 178.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 592' ' ' PHE . . . . . 0.658 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 78.9 m-85 -65.17 -38.94 92.15 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.399 176.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . 0.498 ' O ' ' HG2' ' A' ' 597' ' ' LYS . 21.0 mm-40 -60.44 -44.22 96.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.251 177.576 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -62.88 -48.1 80.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.042 0.449 . . . . 0.0 110.284 178.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 595' ' ' LYS . . . . . 0.489 ' HG2' HG22 ' A' ' 577' ' ' VAL . 12.0 tppt? -63.06 -34.53 77.79 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.428 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 596' ' ' ARG . . . . . 0.599 ' HB2' HD21 ' A' ' 542' ' ' LEU . 41.2 ttp85 -61.78 -36.85 82.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.313 178.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . 0.503 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 65.6 mmtt -64.87 -43.35 93.26 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.301 0.572 . . . . 0.0 109.647 175.189 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.36 -56.86 16.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.368 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.688 ' O ' HG11 ' A' ' 602' ' ' VAL . 2.5 tm? -58.94 -42.5 89.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.52 -177.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . 0.53 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 29.1 tt0 -57.58 -44.96 85.74 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.989 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 601' ' ' GLN . . . . . 0.503 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 48.9 mt-30 -68.73 -25.58 64.82 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . 0.688 HG11 ' O ' ' A' ' 599' ' ' LEU . 1.5 p -75.58 -39.64 40.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.366 177.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 603' ' ' CYS . . . . . 0.614 ' HB2' HD13 ' A' ' 607' ' ' ILE . 15.1 p -82.2 -26.53 33.25 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.304 -178.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 604' ' ' ASN . . . . . 0.52 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 6.7 t30 -50.05 -52.47 52.72 Favored Pre-proline 0 N--CA 1.473 0.675 0 N-CA-C 113.215 0.821 . . . . 0.0 113.215 -175.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 605' ' ' PRO . . . . . 0.52 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 52.0 Cg_exo -59.9 -31.42 93.73 Favored 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 122.018 1.812 . . . . 0.0 112.447 178.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 606' ' ' ILE . . . . . 0.758 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -81.35 -40.23 17.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.184 -177.668 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 607' ' ' ILE . . . . . 0.614 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -66.11 -28.76 44.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.077 177.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 47.9 t -63.39 -23.25 67.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.386 175.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -103.34 -1.09 47.42 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.117 178.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 610' ' ' LEU . . . . . 0.757 HD21 ' HB ' ' A' ' 562' ' ' ILE . 72.2 mt . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.453 -0.784 . . . . 0.0 110.554 -178.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 538' ' ' ALA . . . . . 0.492 ' O ' ' HB2' ' A' ' 542' ' ' LEU . . . . . . . . 0 C--O 1.224 -0.246 0 N-CA-C 111.491 0.182 . . . . 0.0 111.491 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . 0.673 ' HE3' HG22 ' A' ' 585' ' ' THR . 14.1 tmtt? -62.61 -39.66 94.46 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -68.23 -47.01 68.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.647 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -63.16 -42.53 99.44 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.72 178.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.517 ' HB3' HD23 ' A' ' 581' ' ' LEU . 0.3 OUTLIER -67.12 -47.3 71.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.179 -175.068 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 543' ' ' GLU . . . . . 0.692 ' HG3' HD12 ' A' ' 581' ' ' LEU . 12.9 tt0 -66.83 -40.99 88.18 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.112 -177.279 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 54.9 m -67.06 -31.46 71.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.561 176.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -67.59 -49.46 63.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.005 0.431 . . . . 0.0 109.879 177.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.22 -40.29 93.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.136 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -59.62 -39.04 82.96 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.691 174.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -64.98 -49.11 71.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.691 -178.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 549' ' ' MET . . . . . 0.486 ' HE3' ' HA ' ' A' ' 549' ' ' MET . 21.9 mmt -63.36 -43.19 98.39 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-O 121.301 0.572 . . . . 0.0 109.85 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 550' ' ' LYS . . . . . 0.591 ' HG3' HD22 ' A' ' 571' ' ' LEU . 4.4 ttmm -59.79 -47.62 84.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.037 176.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 13.0 t -66.15 -36.61 83.58 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -63.5 -45.97 88.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.55 -177.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 553' ' ' VAL . . . . . 0.676 HG13 HG13 ' A' ' 570' ' ' VAL . 35.5 m -76.56 -34.62 24.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.181 0.515 . . . . 0.0 111.326 -178.033 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 554' ' ' GLU . . . . . 0.5 ' HB2' ' O ' ' A' ' 550' ' ' LYS . 0.0 OUTLIER -85.24 3.9 37.26 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.178 179.62 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 555' ' ' ASP . . . . . 0.465 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 20.4 t70 -70.03 142.77 52.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.643 176.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -69.42 -17.75 63.68 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -174.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -98.02 -38.55 4.06 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 119.642 -1.266 . . . . 0.0 111.11 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . 0.98 HD22 ' HD2' ' A' ' 561' ' ' LYS . 16.3 mt -79.03 -12.64 60.03 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.482 -0.359 . . . . 0.0 111.772 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -65.77 -19.71 65.99 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.012 0.434 . . . . 0.0 111.049 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . -101.1 3.42 55.29 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.676 -0.774 . . . . 0.0 111.6 176.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 561' ' ' LYS . . . . . 0.98 ' HD2' HD22 ' A' ' 558' ' ' LEU . 79.5 mttt -104.48 -32.49 8.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.987 0.422 . . . . 0.0 110.838 -178.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . 0.769 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.9 tt -106.91 153.27 8.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.508 -179.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.53 153.86 37.21 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.769 179.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -55.46 -46.38 76.8 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 123.31 0.382 . . . . 0.0 110.194 -178.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -59.84 -43.3 94.66 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -177.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 566' ' ' ASP . . . . . 0.639 ' HB3' ' HB ' ' A' ' 606' ' ' ILE . 16.8 m-20 -67.61 -47.41 69.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.282 0.563 . . . . 0.0 109.776 -178.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.591 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 44.4 tttt -54.89 -47.32 74.44 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.373 174.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 30.7 tttp -58.63 -51.01 71.74 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.264 -0.88 . . . . 0.0 112.018 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 569' ' ' LYS . . . . . 0.509 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 0.0 OUTLIER -65.38 -43.92 89.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.801 -172.69 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 570' ' ' VAL . . . . . 0.676 HG13 HG13 ' A' ' 553' ' ' VAL . 12.8 p -70.3 -40.17 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.206 -176.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . 0.591 HD22 ' HG3' ' A' ' 550' ' ' LYS . 39.8 mt -60.18 -48.31 82.28 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 110.408 178.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 572' ' ' ASP . . . . . 0.466 ' O ' ' HG3' ' A' ' 576' ' ' GLU . 11.4 t70 -61.76 -47.25 86.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.202 -178.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 573' ' ' LYS . . . . . 0.837 ' HZ3' ' HB3' ' A' ' 598' ' ' GLU . 39.4 tptt -62.05 -41.82 98.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.551 177.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 83.6 m -62.35 -38.06 88.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.293 0.568 . . . . 0.0 109.721 178.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . 0.436 ' HG2' ' HE3' ' A' ' 550' ' ' LYS . 7.4 mm-40 -63.64 -40.66 97.44 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.494 175.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 576' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' A' ' 572' ' ' ASP . 49.0 mt-10 -58.02 -55.62 32.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.15 0.5 . . . . 0.0 110.262 178.404 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 577' ' ' VAL . . . . . 0.528 HG12 ' O ' ' A' ' 573' ' ' LYS . 1.9 p -67.12 -39.67 83.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.861 -179.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 578' ' ' ILE . . . . . . . . . . . . . 12.5 mt -61.88 -42.03 93.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 111.76 0.281 . . . . 0.0 111.76 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 24.6 p -69.75 -29.74 67.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.918 0.39 . . . . 0.0 110.174 177.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 59.2 t90 -70.74 -38.79 73.55 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.663 176.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 581' ' ' LEU . . . . . 0.692 HD12 ' HG3' ' A' ' 543' ' ' GLU . 47.1 mt -57.73 -46.59 84.24 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.936 178.29 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -68.4 -23.22 64.63 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.559 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -90.82 -30.67 16.85 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.433 -176.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -123.2 58.18 1.12 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.252 0.548 . . . . 0.0 111.021 -178.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 585' ' ' THR . . . . . 0.673 HG22 ' HE3' ' A' ' 539' ' ' LYS . 70.5 p -70.03 -17.95 63.28 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.577 0.703 . . . . 0.0 109.64 174.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -93.5 5.4 51.71 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 114.834 -1.076 . . . . 0.0 110.372 -176.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -66.54 151.97 46.2 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.207 177.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -78.63 165.16 23.98 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 176.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -55.33 -42.7 74.14 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -173.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 590' ' ' ASP . . . . . 0.432 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 4.7 p-10 -60.43 -28.33 68.19 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -176.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . 0.418 ' O ' ' HB2' ' A' ' 595' ' ' LYS . 3.4 mm-40 -62.8 -42.97 99.94 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 175.072 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 592' ' ' PHE . . . . . 0.429 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 75.8 m-85 -72.46 -38.53 68.23 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.029 179.088 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . 0.491 ' O ' ' HG2' ' A' ' 597' ' ' LYS . 6.5 mm-40 -60.03 -46.73 88.53 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.824 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -69.92 -37.37 75.92 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.421 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 595' ' ' LYS . . . . . 0.433 ' HE2' ' HB2' ' A' ' 595' ' ' LYS . 3.0 tppt? -64.27 -35.75 81.86 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.291 0.567 . . . . 0.0 109.625 179.033 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 596' ' ' ARG . . . . . 0.636 ' O ' ' HG3' ' A' ' 600' ' ' GLU . 10.3 ttp85 -57.96 -50.69 72.53 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 114.858 -1.064 . . . . 0.0 109.464 176.371 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . 0.644 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 13.0 mmmm -58.23 -41.32 83.89 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.423 178.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . 0.837 ' HB3' ' HZ3' ' A' ' 573' ' ' LYS . 73.3 mm-40 -61.11 -53.49 56.37 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.9 0.857 . . . . 0.0 111.144 178.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.649 ' O ' HG11 ' A' ' 602' ' ' VAL . 2.4 tm? -59.31 -40.57 86.67 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.688 179.205 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . 0.636 ' HG3' ' O ' ' A' ' 596' ' ' ARG . 32.5 mt-10 -58.8 -37.15 75.7 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.172 176.063 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 601' ' ' GLN . . . . . 0.644 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 76.3 mt-30 -66.2 -31.83 72.89 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 111.589 0.218 . . . . 0.0 111.589 178.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . 0.759 HG12 ' HG2' ' A' ' 573' ' ' LYS . 1.5 p -75.45 -40.28 41.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.024 -0.67 . . . . 0.0 111.114 179.292 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 603' ' ' CYS . . . . . 0.745 ' HB2' HD13 ' A' ' 607' ' ' ILE . 25.1 p -83.08 -25.08 32.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.906 -177.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 604' ' ' ASN . . . . . 0.609 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 15.9 t30 -48.72 -55.49 19.57 Favored Pre-proline 0 N--CA 1.473 0.705 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -177.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 605' ' ' PRO . . . . . 0.609 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 51.7 Cg_exo -58.51 -25.12 72.82 Favored 'Trans proline' 0 C--N 1.357 1.01 0 C-N-CA 122.032 1.821 . . . . 0.0 112.536 -179.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 606' ' ' ILE . . . . . 0.769 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -91.37 -40.38 12.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.562 -175.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 607' ' ' ILE . . . . . 0.745 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.2 mp -68.29 -22.42 27.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 C-N-CA 123.523 0.729 . . . . 0.0 111.971 -176.159 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 13.1 m -56.68 -29.45 62.37 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -113.15 10.73 24.61 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.443 -0.884 . . . . 0.0 112.717 -177.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 610' ' ' LEU . . . . . 0.761 HD21 ' HB ' ' A' ' 562' ' ' ILE . 52.1 mt . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.56 -0.733 . . . . 0.0 110.541 -177.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 538' ' ' ALA . . . . . 0.606 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . . . . . . 0 CA--C 1.52 -0.205 0 N-CA-C 111.222 0.082 . . . . 0.0 111.222 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . 0.433 ' HG2' HD22 ' A' ' 581' ' ' LEU . 10.4 tttt -67.81 -46.89 70.63 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -62.57 -43.24 99.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.539 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -62.73 -44.47 96.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.425 177.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.816 ' HB3' HD23 ' A' ' 581' ' ' LEU . 0.2 OUTLIER -63.56 -47.34 81.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.424 -178.146 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 543' ' ' GLU . . . . . 0.718 ' HG3' HD12 ' A' ' 581' ' ' LEU . 5.4 tt0 -63.61 -49.18 74.33 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.388 -177.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 60.5 m -64.71 -32.33 73.96 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.04 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . 0.446 ' CD1' HD13 ' A' ' 599' ' ' LEU . 2.0 t80 -66.07 -49.29 68.15 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -63.14 -44.73 94.71 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 178.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.574 ' CD1' HD13 ' A' ' 578' ' ' ILE . 1.8 m-85 -56.22 -41.47 75.72 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.535 176.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -59.56 -50.23 74.7 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.571 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 549' ' ' MET . . . . . 0.443 ' HE3' ' HA ' ' A' ' 549' ' ' MET . 22.0 mmt -66.3 -43.86 85.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.357 0.599 . . . . 0.0 110.176 -178.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 550' ' ' LYS . . . . . 0.575 ' HG3' ' CD2' ' A' ' 571' ' ' LEU . 4.2 ttmm -59.44 -48.87 79.99 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.882 -1.053 . . . . 0.0 111.416 177.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 6.2 t -66.55 -35.4 80.14 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.867 179.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -64.76 -45.63 85.6 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 553' ' ' VAL . . . . . 0.769 HG11 HG13 ' A' ' 570' ' ' VAL . 29.6 m -74.4 -35.84 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.308 0.575 . . . . 0.0 111.109 -178.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 554' ' ' GLU . . . . . 0.689 ' HG2' HD12 ' A' ' 571' ' ' LEU . 3.5 mm-40 -86.4 5.05 36.82 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.827 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 555' ' ' ASP . . . . . 0.548 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 25.9 t70 -68.44 138.53 55.36 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.098 177.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 556' ' ' GLU . . . . . 0.444 ' O ' ' HE3' ' A' ' 559' ' ' LYS . 9.5 mm-40 -70.11 -12.3 61.5 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -177.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -101.46 -32.31 5.22 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.219 -0.991 . . . . 0.0 111.073 177.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . 0.548 ' HB2' ' HB3' ' A' ' 555' ' ' ASP . 15.5 mt -87.24 -7.62 57.69 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.709 0.29 . . . . 0.0 111.47 178.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . 0.444 ' HE3' ' O ' ' A' ' 556' ' ' GLU . 21.5 pttp -65.38 124.12 21.42 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 172.534 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 106.11 -32.72 7.07 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 -172.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 561' ' ' LYS . . . . . 0.52 ' HG3' HD22 ' A' ' 558' ' ' LEU . 30.6 mmtm -69.09 -38.54 79.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.49 0.662 . . . . 0.0 109.322 174.151 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . 0.878 ' HB ' HD21 ' A' ' 610' ' ' LEU . 5.7 tt -109.22 150.04 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.724 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.738 178.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 19.0 m -82.09 163.27 22.14 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.317 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -58.77 -47.11 85.83 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 -173.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -60.93 -39.58 89.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.797 -175.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 566' ' ' ASP . . . . . 0.536 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 21.9 m-20 -70.45 -45.29 66.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.541 -178.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.56 ' HE2' ' O ' ' A' ' 553' ' ' VAL . 23.3 ttmt -55.91 -47.7 76.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.244 0.545 . . . . 0.0 110.048 174.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -62.56 -45.17 94.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.859 -177.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 569' ' ' LYS . . . . . 0.536 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 18.7 ptmt -65.05 -45.53 84.98 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.533 -176.244 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 570' ' ' VAL . . . . . 0.769 HG13 HG11 ' A' ' 553' ' ' VAL . 12.5 p -70.46 -41.07 78.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.558 -177.033 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . 0.689 HD12 ' HG2' ' A' ' 554' ' ' GLU . 48.6 mt -59.88 -46.69 88.5 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.149 0.5 . . . . 0.0 110.197 176.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -63.89 -45.1 90.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.651 -178.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 573' ' ' LYS . . . . . 0.637 ' CG ' HG12 ' A' ' 602' ' ' VAL . 48.2 tptt -65.62 -39.32 91.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.778 177.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 574' ' ' CYS . . . . . 0.803 ' SG ' HD12 ' A' ' 578' ' ' ILE . 5.5 t -60.42 -41.79 94.68 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.556 0.693 . . . . 0.0 110.066 177.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -61.17 -40.32 93.43 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 114.955 -1.021 . . . . 0.0 111.519 175.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -57.62 -56.26 24.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.969 0.414 . . . . 0.0 110.51 177.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 577' ' ' VAL . . . . . 0.561 HG12 ' O ' ' A' ' 573' ' ' LYS . 0.8 OUTLIER -63.32 -43.33 98.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.404 -179.393 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 578' ' ' ILE . . . . . 0.803 HD12 ' SG ' ' A' ' 574' ' ' CYS . 13.7 mt -61.53 -40.41 86.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.61 0.243 . . . . 0.0 111.438 -178.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 70.1 m -70.89 -30.77 67.23 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.717 176.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -71.49 -37.58 71.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.876 178.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 581' ' ' LEU . . . . . 0.816 HD23 ' HB3' ' A' ' 542' ' ' LEU . 23.4 mt -60.48 -46.63 89.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.74 177.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -65.89 -33.1 75.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.227 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -82.74 -31.7 28.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.986 -176.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -119.19 63.6 0.79 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.258 0.552 . . . . 0.0 111.25 -177.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 71.7 p -77.03 -12.3 59.92 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.955 0.883 . . . . 0.0 109.094 174.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 586' ' ' LEU . . . . . 0.423 HD22 ' N ' ' A' ' 586' ' ' LEU . 1.7 mm? -93.54 5.48 51.44 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 114.255 -1.339 . . . . 0.0 110.141 -179.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -72.28 160.6 32.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.284 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -91.05 171.14 9.47 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.66 176.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 21.3 pttm -54.36 -44.7 72.41 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.285 0.564 . . . . 0.0 111.75 -173.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 590' ' ' ASP . . . . . 0.422 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 6.6 m-20 -65.56 -30.44 71.18 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.351 -174.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -60.36 -41.63 94.11 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.229 0.538 . . . . 0.0 109.933 177.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 592' ' ' PHE . . . . . 0.611 ' O ' HD23 ' A' ' 542' ' ' LEU . 83.8 m-85 -67.61 -45.62 74.93 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.401 175.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . 0.468 ' O ' ' HG2' ' A' ' 597' ' ' LYS . 11.9 mm-40 -59.44 -36.6 76.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.55 -178.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -64.37 -43.51 94.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.179 0.514 . . . . 0.0 109.851 174.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 595' ' ' LYS . . . . . 0.493 ' HB2' ' HZ2' ' A' ' 595' ' ' LYS . 0.3 OUTLIER -65.95 -35.68 81.25 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.636 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 596' ' ' ARG . . . . . 0.562 ' HB2' HD23 ' A' ' 542' ' ' LEU . 33.5 ttp85 -60.82 -37.19 81.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.91 178.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . 0.602 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 39.2 mmtm -62.26 -48.59 79.26 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 121.309 0.576 . . . . 0.0 109.856 174.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . 0.581 ' HB3' ' HZ3' ' A' ' 573' ' ' LYS . 38.4 mt-10 -60.2 -56.07 26.07 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.964 -175.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.629 ' O ' HG11 ' A' ' 602' ' ' VAL . 2.8 tm? -59.2 -38.1 79.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.627 -177.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . 0.54 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 39.7 tt0 -58.94 -41.65 87.92 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.851 176.153 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 601' ' ' GLN . . . . . 0.602 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 90.5 mt-30 -65.17 -32.58 74.33 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -178.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . 0.637 HG12 ' CG ' ' A' ' 573' ' ' LYS . 1.6 p -74.28 -40.29 50.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.786 -179.131 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 603' ' ' CYS . . . . . 0.671 ' HA ' HD11 ' A' ' 606' ' ' ILE . 8.4 p -83.33 -27.51 29.69 Favored 'General case' 0 C--O 1.223 -0.298 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -177.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 604' ' ' ASN . . . . . 0.593 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 25.7 t30 -49.9 -52.27 53.66 Favored Pre-proline 0 CA--C 1.543 0.68 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -175.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 605' ' ' PRO . . . . . 0.593 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 49.2 Cg_exo -60.55 -30.67 91.12 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 122.141 1.894 . . . . 0.0 112.492 178.568 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 606' ' ' ILE . . . . . 0.671 HD11 ' HA ' ' A' ' 603' ' ' CYS . 0.0 OUTLIER -81.19 -40.13 18.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.27 -178.479 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 607' ' ' ILE . . . . . 0.614 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -64.72 -29.69 48.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.342 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 48.2 m -69.0 -11.71 61.03 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.646 178.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -113.85 -4.45 22.81 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.949 -0.643 . . . . 0.0 111.699 177.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 610' ' ' LEU . . . . . 0.878 HD21 ' HB ' ' A' ' 562' ' ' ILE . 59.6 mt . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.592 -0.718 . . . . 0.0 110.504 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 538' ' ' ALA . . . . . 0.697 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.365 0 CA-C-O 120.439 0.162 . . . . 0.0 111.223 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . 0.864 ' HZ1' ' HB3' ' A' ' 581' ' ' LEU . 3.4 tmtm? -67.99 -49.56 60.91 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 177.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -61.96 -42.93 99.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.65 -1.159 . . . . 0.0 110.737 177.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 541' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 545' ' ' TYR . . . -62.11 -49.45 75.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 178.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.702 HD13 HG21 ' A' ' 577' ' ' VAL . 0.5 OUTLIER -63.35 -47.87 80.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.306 -0.407 . . . . 0.0 112.062 -176.479 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 543' ' ' GLU . . . . . 0.828 ' HG3' HD12 ' A' ' 581' ' ' LEU . 10.2 tt0 -68.39 -42.4 79.13 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.022 -174.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 23.0 t -65.61 -39.44 91.53 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.051 177.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . 0.523 ' CZ ' ' HG2' ' A' ' 600' ' ' GLU . 1.7 t80 -62.98 -48.55 78.36 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.055 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.97 -42.98 89.19 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.473 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.407 ' CD1' HD13 ' A' ' 578' ' ' ILE . 1.6 m-85 -56.84 -44.27 81.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.362 174.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -59.33 -49.59 77.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.793 -179.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 549' ' ' MET . . . . . 0.439 ' HE3' ' HA ' ' A' ' 549' ' ' MET . 24.6 mmt -65.77 -41.46 92.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.198 0.523 . . . . 0.0 110.54 -178.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 550' ' ' LYS . . . . . 0.704 ' HG3' HD22 ' A' ' 571' ' ' LEU . 5.2 ttmm -61.46 -46.21 91.03 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.003 177.4 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 32.9 m -65.96 -35.36 80.38 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 176.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -63.92 -45.17 90.45 Favored 'General case' 0 C--O 1.225 -0.233 0 CA-C-O 120.776 0.322 . . . . 0.0 111.839 -177.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 553' ' ' VAL . . . . . 0.62 HG13 HG13 ' A' ' 570' ' ' VAL . 35.2 m -77.01 -35.79 23.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.095 0.474 . . . . 0.0 111.269 -178.297 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 554' ' ' GLU . . . . . 0.481 ' HB2' ' O ' ' A' ' 550' ' ' LYS . 0.4 OUTLIER -88.0 4.27 45.66 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.677 -178.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 555' ' ' ASP . . . . . 0.532 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 32.5 t70 -68.29 135.82 52.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.2 0.524 . . . . 0.0 110.767 178.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -69.66 -9.41 54.15 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.657 -0.702 . . . . 0.0 112.498 -176.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -102.2 -28.02 6.66 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.022 175.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . 1.043 HD22 ' HD2' ' A' ' 561' ' ' LYS . 4.4 mt -91.7 -11.21 37.53 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.607 0.241 . . . . 0.0 111.455 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 57.3 pttt -64.73 127.6 32.23 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.163 -0.681 . . . . 0.0 109.163 173.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 103.44 -27.32 20.37 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.753 -0.736 . . . . 0.0 111.502 -172.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 561' ' ' LYS . . . . . 1.043 ' HD2' HD22 ' A' ' 558' ' ' LEU . 81.0 mttt -78.89 -38.19 38.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.323 0.582 . . . . 0.0 109.761 176.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . 0.768 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.6 tt -106.28 150.31 9.0 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.182 -179.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.76 145.06 34.61 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 175.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 564' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' A' ' 568' ' ' LYS . 21.5 mm-40 -59.99 -31.68 70.14 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.617 -172.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -61.73 -43.22 99.27 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.038 177.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 566' ' ' ASP . . . . . 0.602 ' HB3' ' HB ' ' A' ' 606' ' ' ILE . 2.2 m-20 -68.64 -45.29 72.21 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 179.138 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.54 ' HE2' ' O ' ' A' ' 553' ' ' VAL . 35.8 ttmt -54.78 -48.36 72.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.894 175.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 564' ' ' GLU . 57.4 mtpt -63.53 -48.98 75.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.52 -178.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 569' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 18.3 ptmt -60.97 -43.85 98.19 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.433 -174.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 570' ' ' VAL . . . . . 0.62 HG13 HG13 ' A' ' 553' ' ' VAL . 11.1 p -70.91 -44.57 75.77 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.498 -179.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . 0.704 HD22 ' HG3' ' A' ' 550' ' ' LYS . 29.1 mt -56.88 -47.24 80.93 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.037 0.446 . . . . 0.0 110.11 178.014 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -59.46 -46.95 87.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.407 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 573' ' ' LYS . . . . . 0.672 ' CG ' HG12 ' A' ' 602' ' ' VAL . 48.7 tptt -66.84 -40.77 88.04 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 87.4 m -59.34 -38.34 80.09 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.964 0.412 . . . . 0.0 110.38 176.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -66.13 -37.28 85.31 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.059 176.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.84 -53.06 62.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.781 177.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 577' ' ' VAL . . . . . 0.702 HG21 HD13 ' A' ' 542' ' ' LEU . 0.6 OUTLIER -66.18 -43.68 91.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.335 179.551 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 578' ' ' ILE . . . . . 0.522 ' HA ' HD13 ' A' ' 581' ' ' LEU . 26.4 mt -61.67 -40.15 85.73 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -178.134 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 20.4 p -71.66 -33.93 69.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.137 0.494 . . . . 0.0 110.589 176.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 580' ' ' TRP . . . . . 0.406 ' HZ3' ' CD1' ' A' ' 592' ' ' PHE . 51.3 t90 -66.21 -35.44 80.46 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 176.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 581' ' ' LEU . . . . . 0.864 ' HB3' ' HZ1' ' A' ' 539' ' ' LYS . 17.1 mt -61.76 -47.09 86.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.612 178.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -62.95 -35.32 79.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.507 0.67 . . . . 0.0 109.907 177.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -75.9 -31.46 59.2 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.912 -1.04 . . . . 0.0 111.686 -177.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -126.5 69.83 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.662 -177.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.44 -29.5 52.89 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.412 0.625 . . . . 0.0 110.65 177.435 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -96.51 6.28 49.07 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.793 -175.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -56.18 156.2 5.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.502 176.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -78.75 162.17 26.33 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.081 175.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 589' ' ' LYS . . . . . 0.772 ' HD2' ' H ' ' A' ' 590' ' ' ASP . 0.0 OUTLIER -56.22 -41.93 76.45 Favored 'General case' 0 C--N 1.316 -0.86 0 O-C-N 123.252 0.345 . . . . 0.0 111.681 -175.461 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 590' ' ' ASP . . . . . 0.772 ' H ' ' HD2' ' A' ' 589' ' ' LYS . 12.9 m-20 -57.94 -35.23 70.83 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -61.24 -45.58 93.93 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.377 0.608 . . . . 0.0 109.707 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 592' ' ' PHE . . . . . 0.697 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 82.1 m-85 -66.84 -39.24 87.55 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.627 175.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . 0.487 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 19.8 mm-40 -59.28 -40.49 86.23 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.356 -178.047 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -64.63 -43.2 94.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.011 0.434 . . . . 0.0 110.085 174.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 595' ' ' LYS . . . . . 0.554 ' HG2' HG22 ' A' ' 577' ' ' VAL . 0.0 OUTLIER -60.68 -37.61 82.16 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.863 179.174 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 596' ' ' ARG . . . . . 0.681 ' HB2' HD23 ' A' ' 542' ' ' LEU . 53.8 ttp85 -60.83 -49.91 75.59 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.017 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . 0.48 ' O ' ' HG2' ' A' ' 601' ' ' GLN . 24.1 mmmt -57.69 -43.73 85.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.45 -178.585 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . 0.429 ' OE1' ' HE3' ' A' ' 595' ' ' LYS . 45.3 mt-10 -60.15 -50.82 72.18 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.068 178.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.67 ' O ' HG11 ' A' ' 602' ' ' VAL . 2.4 tm? -59.35 -44.42 92.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.694 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . 0.662 ' HG3' ' O ' ' A' ' 596' ' ' ARG . 33.3 mt-10 -57.23 -46.29 83.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.096 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 601' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' A' ' 597' ' ' LYS . 13.6 mm100 -68.32 -22.99 64.67 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -178.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . 0.672 HG12 ' CG ' ' A' ' 573' ' ' LYS . 1.3 p -76.39 -41.86 35.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.711 175.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 603' ' ' CYS . . . . . 0.581 ' HB2' HD13 ' A' ' 607' ' ' ILE . 6.7 p -82.96 -27.73 30.29 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.645 -176.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 604' ' ' ASN . . . . . 0.624 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 37.2 t30 -49.87 -52.16 54.43 Favored Pre-proline 0 CA--C 1.54 0.562 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -177.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 605' ' ' PRO . . . . . 0.624 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 51.2 Cg_exo -60.52 -26.28 82.47 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 122.145 1.897 . . . . 0.0 112.394 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 606' ' ' ILE . . . . . 0.768 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -85.8 -40.54 14.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.014 -179.18 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 607' ' ' ILE . . . . . 0.581 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -64.19 -27.9 43.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.292 178.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 24.5 t -61.85 -20.47 63.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.723 176.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -117.55 27.7 7.48 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.985 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 610' ' ' LEU . . . . . 0.519 HD23 HD23 ' A' ' 558' ' ' LEU . 50.1 mt . . . . . 0 C--O 1.252 1.199 0 CA-C-O 118.401 -0.809 . . . . 0.0 110.513 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 538' ' ' ALA . . . . . 0.687 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . . . . . . 0 C--O 1.222 -0.363 0 N-CA-C 111.23 0.085 . . . . 0.0 111.23 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . 0.623 ' HZ1' ' HB3' ' A' ' 581' ' ' LEU . 2.5 tmtm? -62.03 -48.77 78.8 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -178.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -64.17 -48.15 77.11 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.727 -178.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 541' ' ' ALA . . . . . 0.477 ' O ' ' HB2' ' A' ' 545' ' ' TYR . . . -62.39 -35.04 77.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.568 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.674 HD13 HD23 ' A' ' 581' ' ' LEU . 1.7 tm? -72.41 -48.07 44.18 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.182 -178.058 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 543' ' ' GLU . . . . . 0.948 ' HG3' HD12 ' A' ' 581' ' ' LEU . 5.9 tt0 -67.51 -47.11 70.92 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 120.771 0.319 . . . . 0.0 110.181 -178.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 48.8 m -57.73 -35.61 70.91 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.403 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . 0.507 ' CD1' HD13 ' A' ' 599' ' ' LEU . 2.6 t80 -63.91 -50.28 69.35 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 178.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -66.42 -42.89 87.1 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 120.985 0.422 . . . . 0.0 110.317 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -57.41 -41.48 80.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.358 175.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 -63.66 -49.53 72.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.901 -0.591 . . . . 0.0 112.051 -178.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 549' ' ' MET . . . . . 0.442 ' HE3' ' HA ' ' A' ' 549' ' ' MET . 23.4 mmt -64.84 -41.49 95.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.454 0.645 . . . . 0.0 110.006 -179.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 550' ' ' LYS . . . . . 0.581 ' HG3' ' CD2' ' A' ' 571' ' ' LEU . 3.0 ttmm -60.34 -45.37 93.67 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.792 -1.095 . . . . 0.0 110.995 175.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 69.2 m -66.17 -36.35 82.86 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.595 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -65.08 -45.72 84.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.725 -177.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 553' ' ' VAL . . . . . 0.705 HG13 HG13 ' A' ' 570' ' ' VAL . 33.2 m -76.4 -36.16 28.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.286 0.565 . . . . 0.0 111.134 -179.164 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 554' ' ' GLU . . . . . 0.666 ' HA ' ' HE3' ' A' ' 567' ' ' LYS . 1.9 mm-40 -84.33 3.47 35.58 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.049 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 555' ' ' ASP . . . . . 0.525 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 30.9 t70 -64.82 132.99 51.01 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 176.13 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -70.81 -7.78 47.77 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.471 -175.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -101.87 -38.04 3.26 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.338 -0.934 . . . . 0.0 111.496 175.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . 0.749 ' HA ' ' HD2' ' A' ' 561' ' ' LYS . 5.9 mt -80.5 -9.96 59.75 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 57.6 pttt -64.01 116.66 6.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.337 0.589 . . . . 0.0 109.466 174.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 113.76 -37.06 3.73 Favored Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -172.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 561' ' ' LYS . . . . . 0.749 ' HD2' ' HA ' ' A' ' 558' ' ' LEU . 78.8 mttt -66.63 -35.77 80.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.477 0.656 . . . . 0.0 110.215 175.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . 0.758 ' HB ' HD21 ' A' ' 610' ' ' LEU . 6.1 tt -106.11 151.19 8.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.14 174.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 19.6 m -70.97 143.3 50.9 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 175.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -59.93 -31.51 69.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.177 -176.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -62.98 -43.32 99.11 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.317 177.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 566' ' ' ASP . . . . . 0.632 ' HA ' ' HD3' ' A' ' 569' ' ' LYS . 36.1 m-20 -68.48 -43.37 77.1 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.67 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 86.0 tttt -54.74 -48.2 72.88 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.022 175.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -68.45 -44.44 74.86 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.94 -177.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 569' ' ' LYS . . . . . 0.632 ' HD3' ' HA ' ' A' ' 566' ' ' ASP . 21.2 pttt -63.9 -43.19 96.73 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.292 -176.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 570' ' ' VAL . . . . . 0.705 HG13 HG13 ' A' ' 553' ' ' VAL . 12.5 p -70.44 -40.15 77.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.663 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . 0.581 ' CD2' ' HG3' ' A' ' 550' ' ' LYS . 36.1 mt -59.06 -47.38 85.45 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 175.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -59.43 -47.1 86.77 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.699 177.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 573' ' ' LYS . . . . . 0.703 ' CG ' HG12 ' A' ' 602' ' ' VAL . 48.5 tptt -63.76 -41.45 97.99 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.809 179.49 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 574' ' ' CYS . . . . . 0.534 ' HG ' HG22 ' A' ' 570' ' ' VAL . 96.6 m -62.5 -38.41 89.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.27 0.557 . . . . 0.0 109.888 177.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -65.62 -39.11 91.13 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.66 176.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.44 -55.3 36.62 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.369 176.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 577' ' ' VAL . . . . . 0.594 HG12 ' O ' ' A' ' 573' ' ' LYS . 1.3 p -66.68 -41.72 88.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.906 -179.236 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 578' ' ' ILE . . . . . 0.515 ' HA ' HD13 ' A' ' 581' ' ' LEU . 19.9 mt -61.25 -37.79 78.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.753 0.311 . . . . 0.0 110.968 179.221 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 45.8 m -68.83 -37.32 79.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.143 0.497 . . . . 0.0 110.191 174.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 56.3 t90 -65.12 -35.92 82.65 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.609 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 581' ' ' LEU . . . . . 0.948 HD12 ' HG3' ' A' ' 543' ' ' GLU . 14.6 mt -63.01 -47.28 83.77 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.151 -0.932 . . . . 0.0 111.646 178.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -64.05 -34.23 77.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.855 178.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -77.76 -31.27 51.94 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.735 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -118.96 63.6 0.78 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.104 -177.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 8.4 p -76.54 -12.83 60.09 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.948 176.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -105.28 7.09 33.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.512 -177.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -62.48 153.78 30.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.009 178.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -85.44 170.98 12.17 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.125 176.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 589' ' ' LYS . . . . . 0.401 ' O ' ' HG3' ' A' ' 593' ' ' GLU . 0.0 OUTLIER -56.21 -46.22 79.56 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -172.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 590' ' ' ASP . . . . . 0.481 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 7.6 p-10 -67.53 -22.81 65.4 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -176.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.88 -49.31 78.2 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 172.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 592' ' ' PHE . . . . . 0.687 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 84.0 m-85 -67.36 -44.45 78.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.18 179.242 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . 0.481 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 53.1 mt-10 -60.46 -40.93 92.99 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.715 -177.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -69.37 -40.49 77.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.983 0.42 . . . . 0.0 110.321 177.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 595' ' ' LYS . . . . . 0.425 ' HA ' ' HD3' ' A' ' 595' ' ' LYS . 16.9 tppt? -61.79 -36.46 81.17 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.289 175.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 596' ' ' ARG . . . . . 0.539 ' HB2' HD21 ' A' ' 542' ' ' LEU . 28.5 ttp180 -60.25 -38.47 83.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.84 178.185 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . 0.569 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 28.5 mmmt -64.71 -40.29 95.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.889 176.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . 0.567 ' HB3' ' HZ1' ' A' ' 573' ' ' LYS . 49.1 mt-10 -60.12 -56.25 23.91 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.688 0.756 . . . . 0.0 110.868 177.311 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.67 ' O ' HG11 ' A' ' 602' ' ' VAL . 2.5 tm? -59.79 -40.34 87.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.728 -1.124 . . . . 0.0 109.253 -177.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . 0.472 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 31.9 tt0 -55.99 -47.24 78.08 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.945 177.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 601' ' ' GLN . . . . . 0.569 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 15.3 mt-30 -69.23 -24.16 63.97 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.484 -0.486 . . . . 0.0 112.092 -176.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . 0.703 HG12 ' CG ' ' A' ' 573' ' ' LYS . 1.6 p -76.27 -40.87 36.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 119.946 -0.701 . . . . 0.0 110.677 176.092 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 603' ' ' CYS . . . . . 0.592 ' HA ' HD11 ' A' ' 606' ' ' ILE . 17.3 p -83.32 -28.38 29.09 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.55 -177.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 604' ' ' ASN . . . . . 0.532 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 10.0 t30 -50.71 -52.1 59.67 Favored Pre-proline 0 CA--C 1.539 0.537 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -176.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 605' ' ' PRO . . . . . 0.532 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 60.7 Cg_exo -55.82 -34.25 90.74 Favored 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 122.237 1.958 . . . . 0.0 112.262 177.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 606' ' ' ILE . . . . . 0.638 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -81.27 -40.37 18.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.283 -176.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 607' ' ' ILE . . . . . 0.592 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -66.44 -35.58 75.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.902 -179.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 69.0 m -66.32 -20.54 66.12 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 120.813 0.339 . . . . 0.0 111.23 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -98.9 -9.45 52.21 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.9 178.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 610' ' ' LEU . . . . . 0.758 HD21 ' HB ' ' A' ' 562' ' ' ILE . 65.4 mt . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.693 -0.67 . . . . 0.0 110.736 -178.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 538' ' ' ALA . . . . . 0.624 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . . . . . . 0 C--O 1.227 -0.112 0 CA-C-O 120.539 0.209 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . 0.605 ' HE3' HG22 ' A' ' 585' ' ' THR . 13.4 tmtt? -65.01 -45.99 83.25 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 176.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -63.82 -47.6 80.17 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.638 177.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -58.13 -48.24 80.84 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 178.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.703 ' HB3' HD23 ' A' ' 581' ' ' LEU . 0.2 OUTLIER -62.0 -46.75 87.87 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.239 -177.523 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 543' ' ' GLU . . . . . 0.727 ' HG3' HD12 ' A' ' 581' ' ' LEU . 11.2 tt0 -67.05 -44.72 79.45 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.217 -176.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 63.7 m -66.48 -32.23 73.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.397 177.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . 0.434 ' CD1' HD13 ' A' ' 599' ' ' LEU . 4.7 t80 -66.14 -50.24 64.65 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.86 -40.51 91.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.213 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -57.63 -42.77 84.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.531 174.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -64.06 -49.11 73.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.733 -178.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 549' ' ' MET . . . . . 0.498 ' HE3' ' HA ' ' A' ' 549' ' ' MET . 21.3 mmt -62.96 -43.21 99.43 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.307 0.575 . . . . 0.0 109.942 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 550' ' ' LYS . . . . . 0.566 ' HG3' ' CD2' ' A' ' 571' ' ' LEU . 4.6 ttmm -58.36 -48.24 81.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.264 175.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 50.8 m -66.28 -36.28 82.57 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.605 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -64.75 -45.18 87.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.859 0.361 . . . . 0.0 111.759 -176.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 553' ' ' VAL . . . . . 0.737 HG13 HG13 ' A' ' 570' ' ' VAL . 35.0 m -75.55 -36.66 35.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.213 0.53 . . . . 0.0 111.057 -178.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 554' ' ' GLU . . . . . 0.63 ' HG2' HD12 ' A' ' 571' ' ' LEU . 3.8 mm-40 -86.24 4.11 40.22 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.892 -178.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 555' ' ' ASP . . . . . 0.591 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 29.2 t70 -65.9 141.21 58.32 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.378 0.608 . . . . 0.0 111.435 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 556' ' ' GLU . . . . . 0.582 ' O ' ' HG2' ' A' ' 559' ' ' LYS . 9.0 pt-20 -70.94 -16.61 62.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.13 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -94.2 -41.22 4.34 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.414 -0.898 . . . . 0.0 111.223 177.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . 0.627 ' HA ' ' HG3' ' A' ' 561' ' ' LYS . 14.9 mt -80.65 1.63 29.17 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.236 -0.482 . . . . 0.0 111.947 178.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . 0.582 ' HG2' ' O ' ' A' ' 556' ' ' GLU . 18.1 ptpt -64.22 127.45 31.51 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 175.383 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 95.0 -20.48 48.94 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.816 -177.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 561' ' ' LYS . . . . . 0.627 ' HG3' ' HA ' ' A' ' 558' ' ' LEU . 32.1 mmtm -74.15 -35.23 64.05 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 176.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . 0.764 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.9 tt -111.19 151.63 13.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.887 178.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 24.9 m -77.64 156.18 30.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.409 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -55.25 -47.42 75.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.75 0.31 . . . . 0.0 111.123 -176.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -59.0 -43.13 91.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.89 -175.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 566' ' ' ASP . . . . . 0.536 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 14.4 m-20 -67.14 -47.94 69.58 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -178.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.682 ' HE2' ' O ' ' A' ' 553' ' ' VAL . 35.8 ttmt -54.95 -48.9 72.59 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.454 176.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -62.25 -45.62 92.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.734 -177.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 569' ' ' LYS . . . . . 0.536 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 17.4 pttt -67.34 -44.16 79.75 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.725 -175.321 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 570' ' ' VAL . . . . . 0.737 HG13 HG13 ' A' ' 553' ' ' VAL . 12.5 p -70.03 -38.57 75.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.824 -177.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . 0.63 HD12 ' HG2' ' A' ' 554' ' ' GLU . 35.5 mt -61.59 -49.08 78.05 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.848 0.356 . . . . 0.0 110.087 176.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -59.91 -43.94 94.57 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.399 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 573' ' ' LYS . . . . . 0.679 ' CG ' HG12 ' A' ' 602' ' ' VAL . 49.5 tptt -64.85 -42.54 94.8 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.863 177.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 574' ' ' CYS . . . . . 0.484 ' HG ' HG22 ' A' ' 570' ' ' VAL . 98.1 m -62.79 -39.19 93.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.537 178.232 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -64.65 -37.52 87.88 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.819 176.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -58.63 -55.54 33.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.646 178.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 577' ' ' VAL . . . . . 0.531 HG12 ' O ' ' A' ' 573' ' ' LYS . 1.4 p -66.73 -40.38 85.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.723 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 578' ' ' ILE . . . . . 0.413 ' HA ' ' CD1' ' A' ' 581' ' ' LEU . 14.1 mt -60.97 -40.63 86.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.638 0.256 . . . . 0.0 111.584 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 13.1 p -72.67 -27.95 62.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.958 0.409 . . . . 0.0 110.632 176.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 80.0 t90 -71.18 -38.66 72.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.471 176.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 581' ' ' LEU . . . . . 0.727 HD12 ' HG3' ' A' ' 543' ' ' GLU . 44.7 mt -59.31 -44.36 92.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.635 176.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -65.15 -31.01 71.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.351 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -85.81 -32.33 21.82 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.708 -176.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -118.34 53.11 0.98 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.699 -176.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 585' ' ' THR . . . . . 0.605 HG22 ' HE3' ' A' ' 539' ' ' LYS . 18.7 p -68.85 -17.35 63.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.339 0.59 . . . . 0.0 110.656 177.277 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 586' ' ' LEU . . . . . 0.51 HD22 ' OG1' ' A' ' 585' ' ' THR . 2.2 mm? -96.18 5.58 50.73 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.144 -0.934 . . . . 0.0 110.75 -175.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 587' ' ' ALA . . . . . 0.411 ' HB3' ' HB2' ' A' ' 591' ' ' GLU . . . -68.41 158.65 33.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.244 176.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -89.22 168.8 11.98 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 176.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 589' ' ' LYS . . . . . 0.452 ' O ' ' HG3' ' A' ' 593' ' ' GLU . 20.1 pttm -56.11 -44.76 79.39 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -170.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 590' ' ' ASP . . . . . 0.473 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 2.5 p-10 -60.01 -29.22 68.33 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -177.294 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . 0.411 ' HB2' ' HB3' ' A' ' 587' ' ' ALA . 60.3 mm-40 -61.32 -44.23 97.55 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.353 0.596 . . . . 0.0 109.672 174.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 592' ' ' PHE . . . . . 0.624 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 90.8 m-85 -70.04 -44.62 68.85 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.743 177.241 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . 0.59 ' O ' ' HG2' ' A' ' 597' ' ' LYS . 45.2 mt-10 -58.29 -36.23 73.02 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.806 -177.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . 0.441 ' O ' ' HB2' ' A' ' 597' ' ' LYS . 2.1 t-80 -71.39 -39.45 71.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.219 0.533 . . . . 0.0 109.956 177.051 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 595' ' ' LYS . . . . . 0.456 ' HA ' ' HD3' ' A' ' 595' ' ' LYS . 11.7 tppt? -65.75 -35.72 81.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.248 177.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 596' ' ' ARG . . . . . 0.541 ' O ' ' HG3' ' A' ' 600' ' ' GLU . 7.6 ttp180 -57.98 -44.54 87.2 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 175.536 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . 0.59 ' HG2' ' O ' ' A' ' 593' ' ' GLU . 66.9 mmtt -54.43 -46.3 73.21 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.418 177.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . 0.543 ' HB3' ' HZ3' ' A' ' 573' ' ' LYS . 49.1 mt-10 -60.68 -53.99 50.67 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.5 0.667 . . . . 0.0 110.959 176.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.62 ' O ' HG11 ' A' ' 602' ' ' VAL . 2.0 tm? -60.54 -39.73 88.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.925 -177.161 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . 0.541 ' HG3' ' O ' ' A' ' 596' ' ' ARG . 51.7 mt-10 -55.94 -46.14 78.59 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.636 175.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 601' ' ' GLN . . . . . 0.535 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 45.8 mt-30 -68.65 -27.75 66.27 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -176.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . 0.679 HG12 ' CG ' ' A' ' 573' ' ' LYS . 1.6 p -75.84 -40.44 39.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 120.219 -0.592 . . . . 0.0 110.482 177.25 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 603' ' ' CYS . . . . . 0.648 ' HA ' HD11 ' A' ' 606' ' ' ILE . 19.8 p -83.03 -26.86 30.78 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.485 -177.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 604' ' ' ASN . . . . . 0.602 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 27.8 t30 -49.18 -54.01 33.43 Favored Pre-proline 0 N--CA 1.472 0.663 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 -176.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 605' ' ' PRO . . . . . 0.602 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 52.2 Cg_exo -58.94 -32.68 97.91 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 122.009 1.806 . . . . 0.0 111.976 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 606' ' ' ILE . . . . . 0.764 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -81.23 -40.61 18.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 114.966 -1.015 . . . . 0.0 110.22 -177.244 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 607' ' ' ILE . . . . . 0.635 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -66.76 -30.85 51.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.076 178.01 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 30.3 t -62.97 -29.11 70.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.096 174.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -98.33 5.8 61.03 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.358 178.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 610' ' ' LEU . . . . . 0.564 HD23 HD23 ' A' ' 558' ' ' LEU . 60.7 mt . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.749 -0.643 . . . . 0.0 109.975 178.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 538' ' ' ALA . . . . . 0.54 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . . . . . . 0 N--CA 1.454 -0.226 0 CA-C-O 120.444 0.164 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . 0.835 ' HZ2' ' HB3' ' A' ' 581' ' ' LEU . 2.1 tmtm? -60.89 -49.78 76.06 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 176.31 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -62.07 -44.83 95.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.617 -178.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -62.87 -42.78 99.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.75 179.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.649 HD23 ' O ' ' A' ' 592' ' ' PHE . 0.4 OUTLIER -65.32 -47.62 75.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.764 -177.908 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 543' ' ' GLU . . . . . 0.757 ' HG3' HD12 ' A' ' 581' ' ' LEU . 9.2 tt0 -66.9 -40.57 87.75 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.154 -176.404 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 39.6 m -66.29 -39.13 89.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.459 176.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . 0.585 ' CD1' HD13 ' A' ' 599' ' ' LEU . 2.6 t80 -62.45 -48.7 78.5 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 179.484 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 546' ' ' ALA . . . . . 0.436 ' C ' ' HG ' ' A' ' 574' ' ' CYS . . . -65.42 -44.3 87.81 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.233 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.536 ' CD1' HD13 ' A' ' 578' ' ' ILE . 1.3 m-85 -56.78 -44.01 81.43 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.465 176.232 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -58.85 -48.88 79.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.793 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 549' ' ' MET . . . . . 0.455 ' HE3' ' HA ' ' A' ' 549' ' ' MET . 22.5 mmt -66.53 -42.39 87.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.291 0.567 . . . . 0.0 110.469 -179.129 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 550' ' ' LYS . . . . . 0.62 ' HG3' HD22 ' A' ' 571' ' ' LEU . 7.1 ttmm -61.53 -46.03 91.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.964 177.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 58.1 m -63.17 -36.16 82.72 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.584 176.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -65.81 -46.16 79.65 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.963 0.356 . . . . 0.0 111.963 -176.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 553' ' ' VAL . . . . . 0.697 HG13 HG13 ' A' ' 570' ' ' VAL . 34.6 m -76.83 -35.27 24.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.414 0.626 . . . . 0.0 111.542 -178.252 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 554' ' ' GLU . . . . . 0.71 ' HA ' ' HE3' ' A' ' 567' ' ' LYS . 0.6 OUTLIER -85.9 4.16 38.64 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.868 -179.415 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 555' ' ' ASP . . . . . 0.462 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 32.0 t70 -67.63 138.41 56.37 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.194 0.521 . . . . 0.0 110.777 178.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 556' ' ' GLU . . . . . 0.607 ' O ' ' HG2' ' A' ' 559' ' ' LYS . 40.0 mm-40 -70.0 -18.45 63.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.584 -0.734 . . . . 0.0 112.096 -176.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -91.26 -32.92 8.42 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.354 -0.927 . . . . 0.0 111.127 178.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . 0.969 ' HA ' ' HD2' ' A' ' 561' ' ' LYS . 5.6 mt -86.69 2.28 49.11 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.439 -0.38 . . . . 0.0 111.846 179.492 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . 0.607 ' HG2' ' O ' ' A' ' 556' ' ' GLU . 6.6 ptpp? -64.23 130.08 42.46 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 174.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 91.04 -24.46 18.33 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.528 -0.844 . . . . 0.0 111.976 -175.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 561' ' ' LYS . . . . . 0.969 ' HD2' ' HA ' ' A' ' 558' ' ' LEU . 87.7 mttt -73.68 -39.32 64.49 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.333 0.587 . . . . 0.0 110.588 178.356 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . 0.713 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.4 tt -107.37 151.57 9.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.477 175.395 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 22.1 m -77.16 152.59 34.78 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -56.61 -43.73 80.44 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.142 0.276 . . . . 0.0 110.693 -176.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -58.27 -43.2 87.83 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.59 -177.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 566' ' ' ASP . . . . . 0.522 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 37.3 m-20 -67.57 -48.63 66.37 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.71 ' HE3' ' HA ' ' A' ' 554' ' ' GLU . 85.5 tttt -54.55 -48.0 72.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.668 176.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . 0.644 ' HZ2' ' HB3' ' A' ' 568' ' ' LYS . 10.1 mtpm? -61.93 -47.1 86.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.644 -178.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 569' ' ' LYS . . . . . 0.522 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 18.0 ptmt -64.35 -44.68 90.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.426 -174.32 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 570' ' ' VAL . . . . . 0.697 HG13 HG13 ' A' ' 553' ' ' VAL . 13.8 p -70.82 -38.34 72.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.534 -179.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . 0.62 HD22 ' HG3' ' A' ' 550' ' ' LYS . 45.6 mt -61.25 -48.73 80.09 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.981 0.419 . . . . 0.0 110.003 176.218 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -60.87 -47.19 87.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.832 -179.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 573' ' ' LYS . . . . . 0.658 ' CG ' HG12 ' A' ' 602' ' ' VAL . 49.9 tptt -65.85 -37.48 86.29 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.923 178.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 574' ' ' CYS . . . . . 0.794 ' SG ' HD12 ' A' ' 578' ' ' ILE . 4.7 t -59.48 -47.04 87.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.538 0.685 . . . . 0.0 109.944 175.114 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -59.7 -37.51 79.05 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.334 176.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -58.93 -55.47 34.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.706 0.289 . . . . 0.0 111.057 176.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 577' ' ' VAL . . . . . 0.598 HG12 ' O ' ' A' ' 573' ' ' LYS . 1.0 OUTLIER -64.83 -42.45 94.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.09 -178.869 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 578' ' ' ILE . . . . . 0.794 HD12 ' SG ' ' A' ' 574' ' ' CYS . 30.2 mt -62.27 -41.47 91.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.865 0.364 . . . . 0.0 111.325 178.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 33.6 t -65.28 -38.44 90.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.278 0.561 . . . . 0.0 110.148 176.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 44.7 t90 -70.01 -35.3 74.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.847 179.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 581' ' ' LEU . . . . . 0.835 ' HB3' ' HZ2' ' A' ' 539' ' ' LYS . 19.8 mt -59.05 -45.07 91.7 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.421 177.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -68.77 -33.09 73.3 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.187 178.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -80.78 -31.7 35.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.938 -176.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -128.55 58.18 1.57 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.053 0.454 . . . . 0.0 110.786 -177.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.26 -19.54 64.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.383 0.611 . . . . 0.0 110.192 176.036 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 586' ' ' LEU . . . . . 0.586 ' N ' HD21 ' A' ' 586' ' ' LEU . 2.9 mm? -95.16 5.15 52.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.716 -177.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -58.34 151.94 18.65 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -67.73 161.49 25.88 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.11 175.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -56.38 -44.36 80.12 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.194 0.521 . . . . 0.0 110.811 -176.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 590' ' ' ASP . . . . . 0.415 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 3.9 m-20 -61.54 -31.62 71.65 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.661 -177.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -61.38 -45.62 93.59 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 592' ' ' PHE . . . . . 0.649 ' O ' HD23 ' A' ' 542' ' ' LEU . 90.9 m-85 -65.89 -42.48 90.24 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.67 175.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' ' 597' ' ' LYS . 60.8 mm-40 -58.35 -42.73 87.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.215 -177.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -67.13 -38.69 85.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.002 0.429 . . . . 0.0 110.003 177.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 595' ' ' LYS . . . . . 0.55 ' HG2' HG22 ' A' ' 577' ' ' VAL . 0.4 OUTLIER -64.5 -36.16 83.31 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.725 179.521 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 596' ' ' ARG . . . . . 0.644 ' HB2' HD23 ' A' ' 542' ' ' LEU . 11.3 ttp180 -61.73 -41.95 98.32 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.058 -0.973 . . . . 0.0 109.815 177.254 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . 0.541 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 27.1 mmmt -67.1 -43.68 81.89 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.423 179.232 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . 0.531 ' HB3' ' HZ1' ' A' ' 573' ' ' LYS . 48.7 mt-10 -61.37 -51.18 69.86 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.574 178.422 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.695 ' O ' HG11 ' A' ' 602' ' ' VAL . 2.4 tm? -60.19 -40.32 89.59 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 179.223 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . 0.471 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 30.1 tt0 -55.9 -48.69 75.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.881 175.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 601' ' ' GLN . . . . . 0.541 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 47.7 mt-30 -69.16 -22.44 63.93 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -178.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . 0.695 HG11 ' O ' ' A' ' 599' ' ' LEU . 1.5 p -77.43 -40.51 28.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.099 176.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 603' ' ' CYS . . . . . 0.634 ' HB2' HD13 ' A' ' 607' ' ' ILE . 21.6 p -82.69 -27.12 31.45 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.472 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 604' ' ' ASN . . . . . 0.515 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 10.9 t30 -50.17 -50.43 69.94 Favored Pre-proline 0 CA--C 1.543 0.69 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -177.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 605' ' ' PRO . . . . . 0.515 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 50.1 Cg_exo -58.16 -25.62 72.33 Favored 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 122.27 1.98 . . . . 0.0 112.586 177.054 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 606' ' ' ILE . . . . . 0.713 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -91.39 -40.94 12.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.564 -177.758 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 607' ' ' ILE . . . . . 0.634 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -66.89 -30.21 48.87 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 C-N-CA 123.027 0.531 . . . . 0.0 111.008 -178.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 4.3 p -68.85 -11.25 60.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.511 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -115.43 -3.94 20.38 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.3 176.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 610' ' ' LEU . . . . . 0.635 HD21 ' HB ' ' A' ' 562' ' ' ILE . 60.4 mt . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.676 -0.678 . . . . 0.0 111.001 -178.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 538' ' ' ALA . . . . . 0.661 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 119.738 -0.172 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . 0.791 ' HZ3' ' HB3' ' A' ' 581' ' ' LEU . 2.3 tmtm? -56.87 -49.24 76.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.952 0.406 . . . . 0.0 109.954 178.116 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -63.97 -47.87 78.71 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.921 -176.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 541' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 545' ' ' TYR . . . -64.71 -38.51 91.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.711 179.03 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.539 HD13 HD23 ' A' ' 581' ' ' LEU . 2.0 tm? -66.26 -47.78 72.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.011 -177.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 543' ' ' GLU . . . . . 0.818 ' HG3' HD12 ' A' ' 581' ' ' LEU . 15.2 tt0 -68.44 -42.28 79.07 Favored 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -178.493 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 22.5 t -61.84 -35.23 77.65 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.908 177.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . 0.446 ' OH ' ' HG2' ' A' ' 600' ' ' GLU . 4.0 t80 -64.21 -49.13 73.21 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.027 179.018 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -66.3 -40.4 89.99 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.173 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.5 ' CD1' HD13 ' A' ' 578' ' ' ILE . 3.1 m-85 -59.11 -42.27 90.14 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.726 174.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -64.05 -48.36 76.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.035 -177.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 549' ' ' MET . . . . . 0.467 ' HE3' ' HA ' ' A' ' 549' ' ' MET . 17.6 mmt -64.39 -43.26 95.0 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.528 0.68 . . . . 0.0 110.018 179.122 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 550' ' ' LYS . . . . . 0.619 ' HG3' HD22 ' A' ' 571' ' ' LEU . 2.7 ttmm -59.0 -44.04 91.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.176 176.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 8.3 t -65.97 -36.54 83.6 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.841 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -64.18 -46.31 84.54 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -176.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 553' ' ' VAL . . . . . 0.646 HG13 HG13 ' A' ' 570' ' ' VAL . 33.8 m -76.71 -31.91 20.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.677 0.751 . . . . 0.0 111.195 -178.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 554' ' ' GLU . . . . . 0.565 ' HB2' ' O ' ' A' ' 550' ' ' LYS . 0.7 OUTLIER -87.01 5.62 36.45 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.067 -0.969 . . . . 0.0 111.729 178.489 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 555' ' ' ASP . . . . . 0.43 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 27.8 t70 -72.8 137.04 45.54 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.979 176.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -70.02 -14.5 62.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.359 -176.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -99.72 -18.0 24.28 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.177 -1.011 . . . . 0.0 111.608 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . 0.665 HD23 HD23 ' A' ' 610' ' ' LEU . 13.5 mt -100.61 -5.61 26.47 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.673 -0.264 . . . . 0.0 111.644 178.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -67.56 125.04 24.9 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 171.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 100.25 -23.78 34.58 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.227 -172.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 561' ' ' LYS . . . . . 0.528 ' HG3' ' HA ' ' A' ' 558' ' ' LEU . 33.8 mmtm -77.84 -43.69 29.58 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.535 0.683 . . . . 0.0 109.301 173.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . 0.732 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.3 tt -105.59 149.49 8.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 CA-C-N 114.845 -1.071 . . . . 0.0 109.728 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 22.1 m -78.6 150.66 32.67 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -54.61 -41.5 70.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.55 0.214 . . . . 0.0 111.358 -173.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -58.21 -42.91 87.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.589 -177.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 566' ' ' ASP . . . . . 0.493 ' HB3' ' HB ' ' A' ' 606' ' ' ILE . 20.9 m-20 -69.31 -46.57 66.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.083 0.468 . . . . 0.0 109.938 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.511 ' NZ ' ' HA ' ' A' ' 554' ' ' GLU . 29.3 tttp -54.26 -47.86 71.83 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.609 175.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -66.56 -47.68 72.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.752 -178.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 569' ' ' LYS . . . . . 0.576 ' HZ1' ' HB2' ' A' ' 569' ' ' LYS . 0.0 OUTLIER -60.97 -44.3 97.53 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 110.297 -0.261 . . . . 0.0 110.297 -175.383 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 570' ' ' VAL . . . . . 0.646 HG13 HG13 ' A' ' 553' ' ' VAL . 12.1 p -70.42 -43.2 78.36 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.232 -179.036 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . 0.619 HD22 ' HG3' ' A' ' 550' ' ' LYS . 41.6 mt -59.76 -45.56 91.85 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.787 0.327 . . . . 0.0 110.486 177.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 572' ' ' ASP . . . . . 0.454 ' O ' ' HG3' ' A' ' 576' ' ' GLU . 21.4 t70 -61.94 -47.99 82.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.254 -179.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 573' ' ' LYS . . . . . 0.63 ' HG2' HG12 ' A' ' 602' ' ' VAL . 44.7 tptt -64.4 -41.88 96.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.063 178.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 91.4 m -61.15 -38.64 87.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.043 0.449 . . . . 0.0 110.004 177.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . 0.424 ' CA ' HE21 ' A' ' 575' ' ' GLN . 0.0 OUTLIER -65.02 -39.36 93.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.141 176.476 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 576' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 572' ' ' ASP . 49.9 mt-10 -58.65 -56.16 25.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.088 0.47 . . . . 0.0 110.279 177.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 577' ' ' VAL . . . . . 0.598 HG12 ' O ' ' A' ' 573' ' ' LYS . 2.1 p -66.34 -39.7 84.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.731 -177.124 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 578' ' ' ILE . . . . . 0.5 HD13 ' CD1' ' A' ' 547' ' ' PHE . 13.2 mt -61.63 -41.89 92.07 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 CA-C-O 120.865 0.365 . . . . 0.0 110.898 177.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 26.6 t -65.45 -35.58 81.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.189 0.518 . . . . 0.0 109.934 175.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 580' ' ' TRP . . . . . 0.627 ' CZ2' ' HG3' ' A' ' 591' ' ' GLU . 46.5 t90 -68.67 -37.22 79.46 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.851 178.68 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 581' ' ' LEU . . . . . 0.818 HD12 ' HG3' ' A' ' 543' ' ' GLU . 14.7 mt -57.96 -46.59 84.88 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.79 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -68.84 -21.97 64.25 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.646 178.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -90.66 -31.77 16.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.081 -175.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -125.5 47.18 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.431 -177.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.74 -23.04 65.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.27 177.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 586' ' ' LEU . . . . . 0.439 ' H ' HD21 ' A' ' 586' ' ' LEU . 1.0 OUTLIER -90.18 5.52 46.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.77 -175.746 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 587' ' ' ALA . . . . . 0.587 ' HB3' ' HB3' ' A' ' 591' ' ' GLU . . . -60.54 157.54 14.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.062 179.004 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -77.07 171.02 15.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.103 175.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 589' ' ' LYS . . . . . 0.877 ' HD3' ' H ' ' A' ' 589' ' ' LYS . 0.0 OUTLIER -56.47 -46.43 80.41 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.363 -176.475 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 590' ' ' ASP . . . . . 0.448 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 5.4 p-10 -66.33 -23.6 66.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.939 -175.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . 0.627 ' HG3' ' CZ2' ' A' ' 580' ' ' TRP . 7.9 tp10 -65.2 -46.21 81.62 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 178.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 592' ' ' PHE . . . . . 0.661 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 94.0 m-85 -68.72 -40.38 79.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.138 177.005 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . 0.448 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 5.8 mm-40 -59.87 -44.97 93.87 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.877 -179.29 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -67.65 -39.88 84.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.505 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 595' ' ' LYS . . . . . 0.589 ' HG2' HG22 ' A' ' 577' ' ' VAL . 8.4 tppt? -62.87 -35.04 78.69 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.149 0.5 . . . . 0.0 109.96 178.023 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 596' ' ' ARG . . . . . 0.482 ' O ' ' HG3' ' A' ' 600' ' ' GLU . 4.2 ttp85 -60.6 -42.89 97.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.948 178.053 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . 0.523 ' O ' ' HG2' ' A' ' 601' ' ' GLN . 26.7 mmmt -62.52 -41.88 99.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.382 176.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . 0.466 ' HB3' ' HZ3' ' A' ' 573' ' ' LYS . 51.0 mt-10 -59.46 -51.37 70.16 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.714 0.769 . . . . 0.0 110.541 177.427 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.631 ' O ' HG11 ' A' ' 602' ' ' VAL . 2.1 tm? -59.68 -41.56 90.98 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.633 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . 0.546 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 38.6 mt-10 -56.17 -46.75 79.22 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.027 176.008 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 601' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 597' ' ' LYS . 24.6 mm-40 -61.48 -30.36 70.55 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -178.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . 0.631 HG11 ' O ' ' A' ' 599' ' ' LEU . 0.8 OUTLIER -76.39 -41.62 35.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 120.203 -0.599 . . . . 0.0 111.273 178.176 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 603' ' ' CYS . . . . . 0.636 ' HB2' HD13 ' A' ' 607' ' ' ILE . 24.5 p -82.84 -26.54 31.56 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 111.538 0.199 . . . . 0.0 111.538 -177.138 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 604' ' ' ASN . . . . . 0.591 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 21.0 t30 -49.48 -53.29 42.02 Favored Pre-proline 0 N--CA 1.472 0.659 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -177.037 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 605' ' ' PRO . . . . . 0.591 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 52.9 Cg_exo -59.87 -22.96 70.66 Favored 'Trans proline' 0 C--N 1.357 0.985 0 C-N-CA 122.257 1.972 . . . . 0.0 112.285 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 606' ' ' ILE . . . . . 0.732 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -91.76 -40.87 12.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.316 -178.218 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 607' ' ' ILE . . . . . 0.636 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -67.07 -32.25 57.02 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.932 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 3.7 p -70.42 -18.46 63.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.968 0.413 . . . . 0.0 110.743 177.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -97.48 -4.06 58.35 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 111.605 -0.598 . . . . 0.0 111.605 175.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 610' ' ' LEU . . . . . 0.665 HD23 HD23 ' A' ' 558' ' ' LEU . 68.3 mt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.372 -0.823 . . . . 0.0 110.031 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 538' ' ' ALA . . . . . 0.557 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . . . . . . 0 CA--C 1.521 -0.17 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -64.46 -47.19 79.94 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 174.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -58.54 -47.94 82.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.724 177.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -61.65 -46.17 90.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 178.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.786 ' HB3' HD23 ' A' ' 581' ' ' LEU . 0.2 OUTLIER -61.7 -48.15 82.06 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.642 -176.841 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 543' ' ' GLU . . . . . 0.701 ' HG3' HD12 ' A' ' 581' ' ' LEU . 11.3 tt0 -68.69 -39.98 80.27 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.351 -176.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 23.6 m -64.76 -40.56 95.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.156 176.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . 0.513 ' O ' ' HG2' ' A' ' 549' ' ' MET . 2.4 t80 -61.59 -48.99 78.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.822 178.609 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.2 -43.25 92.18 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.423 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -58.62 -42.47 88.29 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.676 175.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -59.63 -49.87 76.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.391 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 549' ' ' MET . . . . . 0.513 ' HG2' ' O ' ' A' ' 545' ' ' TYR . 19.3 mmt -65.68 -44.02 87.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.228 0.537 . . . . 0.0 110.155 -178.457 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 550' ' ' LYS . . . . . 0.702 ' HG3' HD22 ' A' ' 571' ' ' LEU . 4.7 ttmm -60.15 -46.06 90.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.748 177.07 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 13.4 t -65.97 -37.01 84.88 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 178.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -65.59 -46.0 81.04 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -177.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 553' ' ' VAL . . . . . 0.656 HG13 HG13 ' A' ' 570' ' ' VAL . 34.4 m -75.84 -32.01 23.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.714 0.768 . . . . 0.0 111.096 -178.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 554' ' ' GLU . . . . . 0.607 ' HB2' ' O ' ' A' ' 550' ' ' LYS . 1.0 OUTLIER -89.2 4.71 47.73 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.954 178.525 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 555' ' ' ASP . . . . . 0.588 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 18.1 t70 -69.39 135.91 50.94 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.263 178.283 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -69.84 -10.09 57.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.256 -176.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -101.48 -32.03 5.31 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.68 -0.771 . . . . 0.0 111.364 176.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . 0.707 ' HA ' ' HG3' ' A' ' 561' ' ' LYS . 15.7 mt -87.49 -3.5 59.0 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 179.024 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -69.06 130.21 42.11 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 174.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 95.88 -28.28 13.19 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.7 -0.762 . . . . 0.0 111.745 -173.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 561' ' ' LYS . . . . . 0.707 ' HG3' ' HA ' ' A' ' 558' ' ' LEU . 60.2 mmtt -69.57 -41.22 76.12 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 175.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . 0.632 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.6 tt -106.22 149.26 9.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.961 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 15.0 m -74.17 148.79 41.37 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.18 -40.14 70.35 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.628 -175.108 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -59.01 -43.48 91.56 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -178.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 566' ' ' ASP . . . . . 0.506 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 26.5 m-20 -68.63 -46.89 68.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.95 0.405 . . . . 0.0 109.922 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.457 ' NZ ' ' HA ' ' A' ' 554' ' ' GLU . 26.6 tttp -53.97 -48.02 70.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.661 175.376 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -65.07 -46.47 81.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.941 -178.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 569' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 0.0 OUTLIER -64.42 -44.94 89.62 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 121.145 -0.222 . . . . 0.0 110.458 -175.634 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 570' ' ' VAL . . . . . 0.656 HG13 HG13 ' A' ' 553' ' ' VAL . 12.0 p -70.43 -42.16 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.012 -177.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . 0.702 HD22 ' HG3' ' A' ' 550' ' ' LYS . 30.6 mt -57.39 -48.6 78.65 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.087 0.47 . . . . 0.0 110.23 177.104 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -61.55 -45.54 93.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.615 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 573' ' ' LYS . . . . . 0.68 ' CG ' HG12 ' A' ' 602' ' ' VAL . 49.1 tptt -65.48 -41.38 93.37 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.752 179.464 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 574' ' ' CYS . . . . . 0.455 ' SG ' HD23 ' A' ' 599' ' ' LEU . 68.7 m -59.3 -39.23 82.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.449 175.453 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -65.4 -36.69 84.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.934 176.639 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.9 -56.35 22.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.973 0.416 . . . . 0.0 110.374 177.228 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 577' ' ' VAL . . . . . 0.613 HG22 HD13 ' A' ' 542' ' ' LEU . 1.4 p -66.27 -41.01 88.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.474 -178.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 578' ' ' ILE . . . . . . . . . . . . . 17.9 mt -60.91 -38.7 79.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.75 0.309 . . . . 0.0 111.02 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 29.1 t -68.46 -36.38 78.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.089 0.471 . . . . 0.0 110.201 174.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 82.9 t90 -69.64 -36.57 76.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.923 179.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 581' ' ' LEU . . . . . 0.786 HD23 ' HB3' ' A' ' 542' ' ' LEU . 48.7 mt -61.0 -47.21 87.53 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.914 178.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -68.7 -21.32 64.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.491 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -93.0 -31.35 14.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.781 -178.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -122.5 58.89 1.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -178.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 40.0 p -72.93 -12.82 61.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.868 0.842 . . . . 0.0 109.298 174.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 586' ' ' LEU . . . . . 0.408 HD22 ' N ' ' A' ' 586' ' ' LEU . 1.9 mm? -93.94 0.02 55.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.335 -1.302 . . . . 0.0 110.432 -176.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 587' ' ' ALA . . . . . 0.424 ' HB3' ' HB2' ' A' ' 591' ' ' GLU . . . -66.71 153.34 43.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.733 -179.207 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -77.84 168.13 20.41 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.249 177.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -56.78 -46.15 81.68 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.912 0.387 . . . . 0.0 111.569 -174.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 590' ' ' ASP . . . . . 0.446 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 10.6 p-10 -67.39 -25.41 65.94 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.142 -177.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . 0.424 ' HB2' ' HB3' ' A' ' 587' ' ' ALA . 36.2 mm-40 -61.51 -47.03 87.46 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 174.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 592' ' ' PHE . . . . . 0.65 ' O ' HD23 ' A' ' 542' ' ' LEU . 98.5 m-85 -64.91 -44.93 87.94 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.03 176.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . 0.446 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 10.8 mm-40 -58.42 -38.07 76.67 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.803 0.335 . . . . 0.0 111.347 -176.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.68 -36.31 70.56 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 175.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 595' ' ' LYS . . . . . 0.411 ' HD3' ' HA ' ' A' ' 595' ' ' LYS . 14.1 tppt? -64.35 -37.22 86.75 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 121.105 0.479 . . . . 0.0 109.82 174.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 596' ' ' ARG . . . . . 0.586 ' HB2' HD23 ' A' ' 542' ' ' LEU . 39.0 ttp85 -59.46 -38.99 82.18 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.12 177.126 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . 0.639 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 59.8 mmtt -67.01 -39.77 87.15 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.726 177.085 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . 0.571 ' HB3' ' HZ3' ' A' ' 573' ' ' LYS . 39.3 mt-10 -60.21 -53.3 59.34 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.43 0.634 . . . . 0.0 110.475 175.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.691 ' O ' HG11 ' A' ' 602' ' ' VAL . 2.1 tm? -61.71 -40.47 95.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.131 -0.941 . . . . 0.0 109.148 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . 0.449 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 31.8 tt0 -55.4 -46.39 76.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.828 177.108 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 601' ' ' GLN . . . . . 0.639 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 75.3 mt-30 -67.16 -29.99 69.84 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.291 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . 0.691 HG11 ' O ' ' A' ' 599' ' ' LEU . 1.4 p -76.07 -40.55 37.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.76 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 603' ' ' CYS . . . . . 0.591 ' HB2' HD13 ' A' ' 607' ' ' ILE . 20.0 p -82.96 -26.37 31.42 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.375 -178.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 604' ' ' ASN . . . . . 0.608 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 40.0 t30 -49.51 -52.39 50.39 Favored Pre-proline 0 CA--C 1.541 0.621 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -176.596 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 605' ' ' PRO . . . . . 0.608 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 49.2 Cg_exo -60.63 -25.83 81.65 Favored 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 122.323 2.015 . . . . 0.0 112.307 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 606' ' ' ILE . . . . . 0.632 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -89.58 -41.15 13.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.288 -177.289 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 607' ' ' ILE . . . . . 0.591 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.2 mp -68.56 -33.6 60.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.843 -179.449 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 8.4 p -70.23 -9.87 57.19 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.842 0.354 . . . . 0.0 110.789 177.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -112.15 7.56 27.05 Favored Glycine 0 N--CA 1.45 -0.418 0 N-CA-C 111.505 -0.638 . . . . 0.0 111.505 175.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 610' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 606' ' ' ILE . 58.7 mt . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.503 -0.76 . . . . 0.0 110.194 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 538' ' ' ALA . . . . . 0.501 ' O ' ' HB2' ' A' ' 542' ' ' LEU . . . . . . . . 0 C--O 1.225 -0.231 0 CA-C-O 120.398 0.142 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . 0.445 ' HE2' ' HB3' ' A' ' 581' ' ' LEU . 13.4 tmtt? -60.86 -41.12 95.26 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 179.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -68.05 -47.07 69.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.703 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -62.61 -39.84 95.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.735 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.633 ' HB3' HD23 ' A' ' 581' ' ' LEU . 0.2 OUTLIER -66.73 -47.32 72.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.011 -177.257 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 543' ' ' GLU . . . . . 0.544 ' HG3' HD12 ' A' ' 581' ' ' LEU . 4.9 tt0 -62.66 -48.1 80.81 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.26 -45.8 83.68 Favored 'General case' 0 C--O 1.213 -0.827 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.506 177.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . 0.442 ' CD1' HD13 ' A' ' 599' ' ' LEU . 3.5 t80 -59.49 -47.27 86.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 110.086 -176.303 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.63 -41.51 92.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.284 178.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -58.94 -43.62 91.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.311 174.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -59.74 -49.36 78.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.312 -178.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 549' ' ' MET . . . . . 0.497 ' HE3' ' HA ' ' A' ' 549' ' ' MET . 19.5 mmt -66.07 -44.59 84.07 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 121.279 0.561 . . . . 0.0 110.212 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 550' ' ' LYS . . . . . 0.587 ' HG3' HD22 ' A' ' 571' ' ' LEU . 3.5 ttmm -57.87 -45.93 85.59 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.268 177.166 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 16.4 t -66.84 -36.14 81.66 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.88 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -62.73 -45.78 91.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.527 -177.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 553' ' ' VAL . . . . . 0.766 HG13 HG13 ' A' ' 570' ' ' VAL . 33.2 m -76.63 -35.68 26.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.431 0.634 . . . . 0.0 111.362 -178.223 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 554' ' ' GLU . . . . . 0.626 ' HG2' HD12 ' A' ' 571' ' ' LEU . 0.2 OUTLIER -85.6 4.43 36.25 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.811 179.47 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 555' ' ' ASP . . . . . 0.457 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 12.8 t70 -69.23 136.78 52.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.559 172.082 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 556' ' ' GLU . . . . . 0.856 ' HA ' ' HD2' ' A' ' 559' ' ' LYS . 63.7 mm-40 -69.79 -10.93 60.26 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -173.233 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -101.61 -37.23 3.54 Favored Glycine 0 N--CA 1.441 -0.995 0 C-N-CA 119.766 -1.207 . . . . 0.0 111.119 176.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . 0.922 HD22 ' HD2' ' A' ' 561' ' ' LYS . 15.7 mt -80.48 -14.47 58.24 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.817 0.341 . . . . 0.0 111.232 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . 0.856 ' HD2' ' HA ' ' A' ' 556' ' ' GLU . 15.4 ptmt -64.61 -22.6 67.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 178.635 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . -98.19 3.83 60.24 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.631 175.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 561' ' ' LYS . . . . . 0.922 ' HD2' HD22 ' A' ' 558' ' ' LEU . 78.3 mttt -104.94 -29.09 10.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.333 0.587 . . . . 0.0 110.461 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . 0.829 ' HB ' HD21 ' A' ' 610' ' ' LEU . 5.5 tt -106.22 153.49 7.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.175 179.005 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 563' ' ' SER . . . . . 0.416 ' HB3' ' OD2' ' A' ' 566' ' ' ASP . 42.0 t -76.68 146.69 37.93 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 175.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -56.03 -38.91 71.18 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.978 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -58.99 -43.03 91.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.024 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 566' ' ' ASP . . . . . 0.558 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 20.7 m-20 -70.47 -46.94 62.81 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 179.107 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.611 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 83.8 tttt -54.66 -48.8 71.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.005 177.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -62.6 -47.17 84.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.294 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 569' ' ' LYS . . . . . 0.558 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 19.1 pttt -66.29 -43.44 86.36 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.607 -173.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 570' ' ' VAL . . . . . 0.766 HG13 HG13 ' A' ' 553' ' ' VAL . 12.6 p -70.07 -40.48 78.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.883 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . 0.626 HD12 ' HG2' ' A' ' 554' ' ' GLU . 31.7 mt -60.14 -46.11 90.76 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.652 0.263 . . . . 0.0 110.688 177.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -64.64 -45.44 86.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.203 0.525 . . . . 0.0 109.777 -179.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 573' ' ' LYS . . . . . 0.66 ' CG ' HG12 ' A' ' 602' ' ' VAL . 51.2 tptt -62.09 -41.01 97.75 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.854 177.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 574' ' ' CYS . . . . . 0.458 ' HG ' HG22 ' A' ' 570' ' ' VAL . 98.1 m -63.52 -39.56 94.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.704 177.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -63.47 -39.09 93.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.532 174.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 576' ' ' GLU . . . . . 0.416 ' HB3' ' O ' ' A' ' 573' ' ' LYS . 3.4 tt0 -58.87 -55.62 32.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.789 178.557 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 577' ' ' VAL . . . . . 0.59 HG12 ' O ' ' A' ' 573' ' ' LYS . 1.5 p -66.11 -41.48 89.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.45 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 578' ' ' ILE . . . . . 0.626 ' HA ' HD13 ' A' ' 581' ' ' LEU . 15.8 mt -61.07 -39.46 82.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.534 0.207 . . . . 0.0 111.415 -179.052 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 16.9 t -70.16 -34.82 73.49 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 175.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 82.7 t90 -67.09 -35.53 80.0 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.694 179.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 581' ' ' LEU . . . . . 0.633 HD23 ' HB3' ' A' ' 542' ' ' LEU . 31.6 mt -63.74 -48.1 78.39 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.333 178.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -68.86 -27.11 65.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.572 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -86.6 -32.21 20.75 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.858 -176.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -113.86 58.97 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.132 0.492 . . . . 0.0 111.009 -177.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 69.4 p -73.73 -12.44 60.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.943 0.878 . . . . 0.0 109.181 174.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 586' ' ' LEU . . . . . 0.439 HD22 ' N ' ' A' ' 586' ' ' LEU . 2.0 mm? -90.16 5.07 48.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.432 -1.258 . . . . 0.0 110.238 -179.278 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 587' ' ' ALA . . . . . 0.468 ' HB3' ' HB2' ' A' ' 591' ' ' GLU . . . -74.51 161.54 29.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.766 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -90.07 167.83 12.45 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 175.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -60.28 -39.19 86.02 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.682 0.753 . . . . 0.0 109.801 -175.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 590' ' ' ASP . . . . . 0.419 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 4.8 m-20 -61.78 -30.65 70.94 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.503 -1.226 . . . . 0.0 111.896 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . 0.468 ' HB2' ' HB3' ' A' ' 587' ' ' ALA . 12.1 mm-40 -63.83 -42.97 97.52 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.438 0.637 . . . . 0.0 109.314 178.276 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 592' ' ' PHE . . . . . 0.443 ' O ' HD23 ' A' ' 542' ' ' LEU . 87.8 m-85 -66.15 -41.12 90.85 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.549 175.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . 0.454 ' HA ' ' OE1' ' A' ' 593' ' ' GLU . 5.0 mm-40 -59.51 -38.84 81.98 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.647 -179.14 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . 0.465 ' O ' ' HG3' ' A' ' 598' ' ' GLU . 29.1 m170 -68.53 -42.7 78.11 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 176.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 595' ' ' LYS . . . . . 0.568 ' HG2' HG22 ' A' ' 577' ' ' VAL . 11.4 tppt? -64.13 -35.53 81.08 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.212 179.288 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 596' ' ' ARG . . . . . 0.46 ' HB2' HD23 ' A' ' 542' ' ' LEU . 12.7 ttp85 -60.14 -37.23 79.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.407 176.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . 0.54 ' O ' ' HG2' ' A' ' 601' ' ' GLN . 43.8 mmtm -66.53 -46.36 76.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.385 173.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 594' ' ' HIS . 53.1 mt-10 -59.41 -55.82 29.79 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.555 0.693 . . . . 0.0 111.332 -177.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.682 ' O ' HG11 ' A' ' 602' ' ' VAL . 2.6 tm? -59.07 -40.77 86.21 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.515 -179.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . 0.622 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 36.5 tt0 -59.79 -41.76 91.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.777 177.627 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 601' ' ' GLN . . . . . 0.54 ' HG2' ' O ' ' A' ' 597' ' ' LYS . 26.4 mm-40 -62.98 -30.94 71.98 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 179.144 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . 0.682 HG11 ' O ' ' A' ' 599' ' ' LEU . 1.4 p -75.42 -40.4 42.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.928 178.163 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 603' ' ' CYS . . . . . 0.63 ' HA ' HD11 ' A' ' 606' ' ' ILE . 24.1 p -82.96 -27.08 30.75 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -177.522 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 604' ' ' ASN . . . . . 0.6 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 20.9 t30 -49.58 -54.02 35.16 Favored Pre-proline 0 N--CA 1.471 0.622 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -176.249 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 605' ' ' PRO . . . . . 0.6 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 47.3 Cg_exo -60.7 -24.22 78.13 Favored 'Trans proline' 0 C--N 1.356 0.93 0 C-N-CA 122.056 1.837 . . . . 0.0 112.324 179.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 606' ' ' ILE . . . . . 0.693 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -87.67 -40.83 14.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.888 -179.509 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 607' ' ' ILE . . . . . 0.615 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.4 mp -66.02 -27.72 41.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.673 177.251 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 33.4 t -65.03 -13.06 56.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.681 176.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -120.84 5.88 11.34 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.082 176.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 610' ' ' LEU . . . . . 0.829 HD21 ' HB ' ' A' ' 562' ' ' ILE . 68.4 mt . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.551 -179.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 538' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.107 0 CA-C-O 120.518 0.199 . . . . 0.0 111.378 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . 0.7 ' HG2' HD22 ' A' ' 581' ' ' LEU . 10.0 tmtt? -66.99 -39.79 87.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.757 0.313 . . . . 0.0 110.741 -177.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -64.42 -45.78 86.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.192 178.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 541' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' A' ' 545' ' ' TYR . . . -59.97 -45.25 93.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.626 176.418 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.741 ' HB3' HD23 ' A' ' 581' ' ' LEU . 0.2 OUTLIER -66.87 -48.45 68.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.847 -175.237 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 543' ' ' GLU . . . . . 0.705 ' HG3' HD12 ' A' ' 581' ' ' LEU . 17.5 tt0 -68.67 -41.04 79.81 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 -176.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 36.0 m -65.83 -35.49 80.81 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.241 176.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . 0.462 ' OH ' ' HG2' ' A' ' 600' ' ' GLU . 3.2 t80 -62.62 -49.44 75.18 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 177.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -66.18 -42.0 89.48 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.568 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.418 ' CD1' HD13 ' A' ' 578' ' ' ILE . 2.2 m-85 -57.54 -41.85 81.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.428 174.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 51.3 m-20 -60.45 -50.16 74.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.914 -179.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 549' ' ' MET . . . . . 0.463 ' HE3' ' HA ' ' A' ' 549' ' ' MET . 18.2 mmt -66.94 -43.18 83.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.339 0.59 . . . . 0.0 110.016 -178.437 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 550' ' ' LYS . . . . . 0.544 ' HG3' HD22 ' A' ' 571' ' ' LEU . 3.4 ttmm -58.84 -48.55 80.93 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.285 176.41 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 5.3 t -65.85 -35.51 80.88 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.514 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -64.24 -45.94 85.97 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.987 0.365 . . . . 0.0 111.987 -178.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 553' ' ' VAL . . . . . 0.634 HG13 HG13 ' A' ' 570' ' ' VAL . 33.8 m -76.71 -32.83 21.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.391 0.615 . . . . 0.0 111.286 -179.261 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 554' ' ' GLU . . . . . 0.529 ' HG2' HD12 ' A' ' 571' ' ' LEU . 1.2 mm-40 -89.36 4.48 48.81 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.766 178.452 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 555' ' ' ASP . . . . . 0.613 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 18.1 t70 -65.12 137.58 57.75 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.557 177.137 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -71.62 -13.06 61.65 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.29 -177.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -101.98 -23.36 9.26 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 119.94 -1.124 . . . . 0.0 111.602 178.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . 0.613 ' HB2' ' HB3' ' A' ' 555' ' ' ASP . 13.8 mt -93.06 -2.73 55.29 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.781 0.324 . . . . 0.0 111.279 177.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -68.67 120.8 15.23 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 174.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 109.25 -33.65 6.0 Favored Glycine 0 N--CA 1.448 -0.52 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 -172.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 561' ' ' LYS . . . . . 0.502 ' HG3' HD22 ' A' ' 558' ' ' LEU . 27.4 mmtt -65.87 -45.9 80.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.323 0.582 . . . . 0.0 110.851 176.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . 0.684 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.3 tt -105.66 147.37 11.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.355 -0.838 . . . . 0.0 110.157 -176.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 563' ' ' SER . . . . . 0.402 ' HB3' ' OD2' ' A' ' 566' ' ' ASP . 33.0 t -72.61 147.95 45.33 Favored 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 176.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -61.35 -31.37 71.25 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.58 -175.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -61.94 -43.62 98.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 123.211 0.319 . . . . 0.0 111.018 177.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 566' ' ' ASP . . . . . 0.436 ' HB3' ' HB ' ' A' ' 606' ' ' ILE . 13.4 m-20 -68.01 -46.52 71.0 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.53 0.681 . . . . 0.0 109.28 178.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 26.2 tttp -54.24 -48.72 70.8 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.624 -1.171 . . . . 0.0 111.161 175.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -63.3 -47.77 80.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.523 -178.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 569' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 17.8 ptmt -63.79 -44.57 92.95 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.208 -174.418 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 570' ' ' VAL . . . . . 0.634 HG13 HG13 ' A' ' 553' ' ' VAL . 11.1 p -70.5 -41.36 78.1 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.284 -179.094 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . 0.544 HD22 ' HG3' ' A' ' 550' ' ' LYS . 36.1 mt -60.29 -46.18 90.77 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.971 0.415 . . . . 0.0 110.353 177.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -60.29 -47.52 85.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.711 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 573' ' ' LYS . . . . . 0.672 ' CG ' HG12 ' A' ' 602' ' ' VAL . 50.1 tptt -66.21 -39.54 89.69 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.063 179.049 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 574' ' ' CYS . . . . . 0.472 ' HG ' HG22 ' A' ' 570' ' ' VAL . 97.9 m -62.23 -37.85 86.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.164 0.507 . . . . 0.0 110.09 176.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -65.79 -36.58 83.93 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.275 175.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -59.0 -56.07 27.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.586 176.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 577' ' ' VAL . . . . . 0.608 HG22 ' HG2' ' A' ' 595' ' ' LYS . 1.0 OUTLIER -65.05 -43.45 95.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.309 -179.284 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 578' ' ' ILE . . . . . 0.418 HD13 ' CD1' ' A' ' 547' ' ' PHE . 20.9 mt -61.35 -38.23 79.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -179.071 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 31.3 t -70.77 -33.51 70.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.171 0.51 . . . . 0.0 109.886 176.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 79.2 t90 -69.7 -38.55 76.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.654 178.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 581' ' ' LEU . . . . . 0.741 HD23 ' HB3' ' A' ' 542' ' ' LEU . 34.6 mt -60.93 -42.65 98.58 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.895 177.356 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -66.98 -30.85 71.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.155 -0.929 . . . . 0.0 110.327 178.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -84.38 -31.84 24.51 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.48 -177.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . 0.483 ' O ' ' HB1' ' A' ' 587' ' ' ALA . 86.6 m-20 -124.1 55.18 1.3 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.473 -178.377 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -66.58 -19.15 65.71 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.833 178.254 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -104.53 7.22 35.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.192 -175.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 587' ' ' ALA . . . . . 0.483 ' HB1' ' O ' ' A' ' 584' ' ' ASN . . . -57.02 158.38 5.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.666 -179.109 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -80.03 163.32 24.29 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.615 177.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -56.7 -45.84 81.58 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -170.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 590' ' ' ASP . . . . . 0.594 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 3.6 p30 -63.17 -27.03 69.09 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -178.078 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -61.48 -48.4 81.26 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 175.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 592' ' ' PHE . . . . . 0.549 ' O ' HD23 ' A' ' 542' ' ' LEU . 92.9 m-85 -66.88 -42.92 84.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.069 176.177 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . 0.594 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 10.0 mm-40 -59.69 -40.61 88.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.846 -176.349 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 27.9 m80 -67.38 -39.59 85.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.846 0.355 . . . . 0.0 110.345 175.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 595' ' ' LYS . . . . . 0.608 ' HG2' HG22 ' A' ' 577' ' ' VAL . 0.3 OUTLIER -62.55 -37.33 85.7 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.251 177.301 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 596' ' ' ARG . . . . . 0.659 ' O ' ' HG3' ' A' ' 600' ' ' GLU . 31.0 ttp85 -60.01 -47.42 85.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.951 178.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . 0.581 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 25.6 mmmt -58.3 -44.62 88.65 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.756 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.28 -50.87 71.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.379 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.629 ' O ' HG11 ' A' ' 602' ' ' VAL . 2.3 tm? -59.5 -41.7 90.46 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.72 -178.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . 0.659 ' HG3' ' O ' ' A' ' 596' ' ' ARG . 50.5 mt-10 -59.4 -38.74 81.33 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.012 177.666 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 601' ' ' GLN . . . . . 0.581 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 74.0 mt-30 -63.86 -37.24 86.66 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.625 0.232 . . . . 0.0 111.625 178.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . 0.672 HG12 ' CG ' ' A' ' 573' ' ' LYS . 1.7 p -73.92 -39.26 51.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.16 -177.182 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 603' ' ' CYS . . . . . 0.637 ' HB2' HD13 ' A' ' 607' ' ' ILE . 21.6 p -83.18 -25.96 31.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.599 -178.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 604' ' ' ASN . . . . . 0.604 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 17.2 t30 -49.19 -54.73 26.35 Favored Pre-proline 0 N--CA 1.475 0.796 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -176.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 605' ' ' PRO . . . . . 0.604 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 50.9 Cg_exo -58.95 -25.65 78.22 Favored 'Trans proline' 0 C--N 1.358 1.039 0 C-N-CA 122.152 1.901 . . . . 0.0 112.488 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 606' ' ' ILE . . . . . 0.684 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -89.42 -41.05 13.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.217 -177.444 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 607' ' ' ILE . . . . . 0.637 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.2 mp -68.38 -30.58 48.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 C-N-CA 123.131 0.572 . . . . 0.0 111.394 -177.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 4.6 t -64.54 -22.24 66.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.608 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -114.68 22.76 12.65 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.196 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 610' ' ' LEU . . . . . 0.545 HD21 ' HB ' ' A' ' 562' ' ' ILE . 33.9 mt . . . . . 0 C--O 1.251 1.155 0 CA-C-O 118.417 -0.802 . . . . 0.0 110.641 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 538' ' ' ALA . . . . . 0.584 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.937 0.398 . . . . 0.0 110.108 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . 0.884 ' HZ2' ' HB3' ' A' ' 581' ' ' LEU . 3.3 tmtm? -56.53 -47.8 78.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.377 174.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -63.68 -47.03 82.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.829 -178.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 541' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 545' ' ' TYR . . . -58.68 -42.26 88.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.763 178.317 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.659 HD23 ' O ' ' A' ' 592' ' ' PHE . 0.5 OUTLIER -65.52 -47.09 77.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.052 -177.305 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 543' ' ' GLU . . . . . 0.928 ' HG3' HD12 ' A' ' 581' ' ' LEU . 5.2 tt0 -65.48 -47.43 76.1 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.204 -177.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 21.0 t -57.24 -43.7 83.18 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.723 176.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . 0.525 ' CD1' HD13 ' A' ' 599' ' ' LEU . 3.2 t80 -62.96 -48.6 78.17 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.15 0.5 . . . . 0.0 109.861 -177.248 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -64.85 -42.44 94.89 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.296 179.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.464 ' CD1' HD13 ' A' ' 578' ' ' ILE . 3.1 m-85 -57.85 -42.1 83.77 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.433 174.227 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -59.76 -50.27 74.48 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.559 -178.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 549' ' ' MET . . . . . 0.446 ' HG3' ' CD1' ' A' ' 599' ' ' LEU . 22.3 mmt -67.14 -43.55 82.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.299 0.571 . . . . 0.0 110.506 -179.231 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 550' ' ' LYS . . . . . 0.617 ' HG3' HD22 ' A' ' 571' ' ' LEU . 4.7 ttmm -58.76 -47.42 84.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.815 177.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 7.6 t -66.34 -35.75 81.14 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.006 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -63.67 -46.3 86.21 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -177.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 553' ' ' VAL . . . . . 0.702 HG13 HG13 ' A' ' 570' ' ' VAL . 32.8 m -76.25 -31.81 21.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.639 0.733 . . . . 0.0 111.237 -178.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 554' ' ' GLU . . . . . 0.553 ' HB2' ' O ' ' A' ' 550' ' ' LYS . 1.3 mm-40 -89.23 3.9 50.45 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.701 178.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 555' ' ' ASP . . . . . 0.525 ' O ' ' HG2' ' A' ' 559' ' ' LYS . 34.1 t70 -67.15 140.17 57.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.052 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 556' ' ' GLU . . . . . 0.45 ' HA ' ' HD3' ' A' ' 559' ' ' LYS . 5.4 pt-20 -69.48 -11.78 61.11 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.305 -0.861 . . . . 0.0 112.555 -175.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -101.79 -19.75 14.62 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.153 177.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . 0.511 HD22 ' HG3' ' A' ' 561' ' ' LYS . 12.7 mt -101.87 5.09 40.83 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -177.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 555' ' ' ASP . 12.3 mmmt -48.4 -46.91 37.88 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 123.452 0.701 . . . . 0.0 112.835 -172.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . -102.23 -2.93 51.24 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.228 -178.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 561' ' ' LYS . . . . . 0.511 ' HG3' HD22 ' A' ' 558' ' ' LEU . 58.6 mmtt -69.75 -37.79 76.57 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.939 0.4 . . . . 0.0 111.114 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . 0.751 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.9 tt -106.26 155.52 7.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.168 -179.282 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 563' ' ' SER . . . . . 0.477 ' HB2' ' OD2' ' A' ' 566' ' ' ASP . 4.8 m -74.24 149.79 40.62 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 178.056 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -56.57 -43.01 79.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.767 0.318 . . . . 0.0 110.435 -178.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -59.78 -43.7 94.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.776 -177.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 566' ' ' ASP . . . . . 0.644 ' HB3' ' HB ' ' A' ' 606' ' ' ILE . 22.4 m-20 -66.84 -47.13 72.92 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 121.197 0.522 . . . . 0.0 109.84 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.434 ' NZ ' ' HA ' ' A' ' 554' ' ' GLU . 30.0 tttp -54.43 -48.56 71.52 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.97 -1.013 . . . . 0.0 111.118 175.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -65.02 -46.71 80.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.581 -177.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 569' ' ' LYS . . . . . 0.574 ' HZ2' ' HB2' ' A' ' 569' ' ' LYS . 0.0 OUTLIER -63.35 -44.21 95.48 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.343 -174.38 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 570' ' ' VAL . . . . . 0.702 HG13 HG13 ' A' ' 553' ' ' VAL . 11.5 p -70.48 -43.52 77.9 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.055 -178.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . 0.617 HD22 ' HG3' ' A' ' 550' ' ' LYS . 35.7 mt -57.36 -48.19 79.65 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.741 0.305 . . . . 0.0 110.633 178.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -66.03 -40.77 91.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.339 -176.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 573' ' ' LYS . . . . . 0.652 ' CG ' HG12 ' A' ' 602' ' ' VAL . 47.4 tptt -68.65 -38.71 80.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.8 177.239 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 574' ' ' CYS . . . . . 0.45 ' SG ' HD23 ' A' ' 599' ' ' LEU . 66.0 m -61.33 -40.14 93.12 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.043 0.449 . . . . 0.0 110.068 176.215 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -67.31 -35.73 80.03 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.232 175.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 576' ' ' GLU . . . . . 0.404 ' HB3' ' O ' ' A' ' 573' ' ' LYS . 0.1 OUTLIER -58.2 -55.02 40.36 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.302 176.712 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 577' ' ' VAL . . . . . 0.617 HG21 HD13 ' A' ' 542' ' ' LEU . 1.2 p -66.38 -40.12 85.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.275 179.08 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 578' ' ' ILE . . . . . 0.601 ' HA ' HD13 ' A' ' 581' ' ' LEU . 23.0 mt -61.82 -40.8 88.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.678 0.275 . . . . 0.0 111.293 179.148 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 32.6 t -71.73 -32.28 67.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.932 0.396 . . . . 0.0 110.225 175.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 56.5 t90 -67.57 -37.86 83.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.428 0.632 . . . . 0.0 109.385 177.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 581' ' ' LEU . . . . . 0.928 HD12 ' HG3' ' A' ' 543' ' ' GLU . 17.7 mt -60.53 -46.4 90.32 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.722 176.071 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -62.76 -31.23 72.15 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.476 178.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -85.8 -31.32 22.39 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.968 -1.014 . . . . 0.0 111.997 -175.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -128.47 65.75 1.4 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.518 -174.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 25.5 p -77.47 -12.22 59.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.967 0.889 . . . . 0.0 109.074 171.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -87.06 -4.71 59.18 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.011 -1.45 . . . . 0.0 110.087 -178.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 587' ' ' ALA . . . . . 0.408 ' HB3' ' HB2' ' A' ' 591' ' ' GLU . . . -66.43 154.68 39.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.859 -178.544 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -87.58 169.01 12.54 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.291 175.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -55.71 -43.37 76.45 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -171.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 590' ' ' ASP . . . . . 0.703 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 15.1 t70 -62.99 -28.23 69.95 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -176.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . 0.408 ' HB2' ' HB3' ' A' ' 587' ' ' ALA . 10.1 mm-40 -61.3 -44.79 96.62 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.36 0.6 . . . . 0.0 109.462 174.113 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 592' ' ' PHE . . . . . 0.659 ' O ' HD23 ' A' ' 542' ' ' LEU . 77.3 m-85 -70.42 -41.16 73.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.733 176.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . 0.703 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 34.6 mm-40 -58.48 -44.94 89.52 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.32 -177.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 10.3 m80 -69.34 -36.28 76.76 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.831 176.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 595' ' ' LYS . . . . . 0.457 ' HD3' ' HA ' ' A' ' 595' ' ' LYS . 6.3 tppt? -64.41 -36.58 84.61 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.148 0.499 . . . . 0.0 110.224 177.288 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 596' ' ' ARG . . . . . 0.606 ' HB2' HD23 ' A' ' 542' ' ' LEU . 54.3 ttp85 -60.69 -38.61 85.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.369 176.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . 0.666 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 71.7 mmtt -67.4 -45.06 77.27 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.655 176.183 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -59.47 -52.07 67.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.426 0.632 . . . . 0.0 111.128 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.705 ' O ' HG11 ' A' ' 602' ' ' VAL . 2.4 tm? -60.36 -39.76 88.32 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.584 -179.4 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . 0.578 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 39.6 tt0 -60.56 -39.04 86.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.18 177.335 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 601' ' ' GLN . . . . . 0.666 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 69.2 mt-30 -68.8 -32.2 71.75 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 179.258 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . 0.705 HG11 ' O ' ' A' ' 599' ' ' LEU . 2.5 p -75.48 -37.32 37.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.261 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 603' ' ' CYS . . . . . 0.657 ' HB2' HD13 ' A' ' 607' ' ' ILE . 27.4 p -83.08 -26.37 31.15 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.64 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 604' ' ' ASN . . . . . 0.609 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 26.2 t30 -49.9 -53.05 46.61 Favored Pre-proline 0 N--CA 1.474 0.741 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 -175.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 605' ' ' PRO . . . . . 0.609 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 51.5 Cg_exo -58.98 -27.11 83.97 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 122.206 1.938 . . . . 0.0 112.074 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 606' ' ' ILE . . . . . 0.751 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -87.33 -41.58 14.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.315 -177.857 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 607' ' ' ILE . . . . . 0.657 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -67.24 -34.36 68.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 C-N-CA 122.975 0.51 . . . . 0.0 111.005 -178.455 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 7.9 p -69.46 -17.54 63.64 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.88 0.372 . . . . 0.0 110.99 178.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -106.31 13.23 43.96 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.027 -0.606 . . . . 0.0 111.768 176.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 610' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 606' ' ' ILE . 36.6 mt . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.533 -0.746 . . . . 0.0 110.452 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 538' ' ' ALA . . . . . 0.725 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . . . . . . 0 N--CA 1.455 -0.202 0 N-CA-C 110.348 -0.241 . . . . 0.0 110.348 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . 0.661 ' HG2' HD22 ' A' ' 581' ' ' LEU . 11.5 tmtt? -68.53 -42.52 78.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.587 0.708 . . . . 0.0 109.648 178.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -58.18 -47.47 83.3 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.191 178.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -66.03 -43.54 87.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.668 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.705 ' HB3' HD23 ' A' ' 581' ' ' LEU . 0.4 OUTLIER -60.37 -46.86 88.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.502 -178.21 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 543' ' ' GLU . . . . . 0.786 ' HG3' HD12 ' A' ' 581' ' ' LEU . 3.2 tt0 -64.4 -48.95 73.46 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.52 -177.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 544' ' ' SER . . . . . 0.558 ' O ' ' HB2' ' A' ' 548' ' ' ASN . 12.5 m -61.79 -33.74 74.65 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.485 178.454 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . 0.582 ' CD1' HD13 ' A' ' 599' ' ' LEU . 2.2 t80 -67.02 -50.15 63.02 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -66.1 -44.65 83.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.725 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.424 ' CD1' HD13 ' A' ' 578' ' ' ILE . 3.2 m-85 -56.98 -38.59 73.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.275 175.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 548' ' ' ASN . . . . . 0.558 ' HB2' ' O ' ' A' ' 544' ' ' SER . 20.8 t-20 -66.52 -50.1 64.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.946 -177.005 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 549' ' ' MET . . . . . 0.477 ' HE3' ' HA ' ' A' ' 549' ' ' MET . 22.4 mmt -63.62 -41.67 98.27 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.419 0.628 . . . . 0.0 110.037 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 550' ' ' LYS . . . . . 0.594 ' HG3' HD22 ' A' ' 571' ' ' LEU . 4.8 ttmm -61.06 -43.93 98.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.896 177.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 73.7 m -66.54 -36.94 83.92 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 177.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -67.17 -46.29 74.45 Favored 'General case' 0 C--O 1.225 -0.231 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -175.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 553' ' ' VAL . . . . . 0.709 HG13 HG13 ' A' ' 570' ' ' VAL . 34.8 m -74.58 -35.33 37.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.493 0.663 . . . . 0.0 110.833 -178.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 554' ' ' GLU . . . . . 0.577 ' HB2' ' O ' ' A' ' 550' ' ' LYS . 2.0 mm-40 -83.67 3.53 32.56 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.362 -179.645 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 555' ' ' ASP . . . . . 0.587 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 26.5 t70 -67.0 137.09 56.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.969 174.176 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -10.82 59.73 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -174.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -101.64 -42.41 2.32 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.272 -0.966 . . . . 0.0 111.063 174.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . 0.919 HD22 ' HD3' ' A' ' 561' ' ' LYS . 10.6 mt -75.0 -12.41 60.32 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -67.79 -11.49 58.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.879 0.371 . . . . 0.0 110.422 175.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . -101.2 -3.84 53.94 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.885 175.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 561' ' ' LYS . . . . . 0.919 ' HD3' HD22 ' A' ' 558' ' ' LEU . 5.2 mptt -100.26 -32.25 10.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.983 0.42 . . . . 0.0 110.703 178.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . 0.796 ' HB ' HD21 ' A' ' 610' ' ' LEU . 5.2 tt -106.07 152.54 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.508 -178.649 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 7.3 m -81.87 157.52 24.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.566 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -54.21 -49.27 69.79 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 120.944 0.402 . . . . 0.0 111.042 -177.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -57.41 -43.29 83.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.071 -175.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 566' ' ' ASP . . . . . 0.614 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 21.6 m-20 -69.15 -48.24 62.87 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 121.213 0.53 . . . . 0.0 110.173 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.612 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 84.3 tttt -54.32 -48.1 71.75 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.905 176.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -66.65 -44.02 83.02 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.678 -178.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 569' ' ' LYS . . . . . 0.614 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 18.5 ptmt -65.32 -43.03 92.28 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 -174.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 570' ' ' VAL . . . . . 0.709 HG13 HG13 ' A' ' 553' ' ' VAL . 12.7 p -70.41 -40.61 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.832 -179.314 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . 0.594 HD22 ' HG3' ' A' ' 550' ' ' LYS . 33.0 mt -60.11 -49.09 79.03 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.809 0.338 . . . . 0.0 110.723 177.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -63.04 -44.7 95.17 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.935 -179.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 573' ' ' LYS . . . . . 0.848 ' HZ3' ' HB3' ' A' ' 598' ' ' GLU . 50.0 tptt -62.48 -43.01 99.86 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.975 177.178 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 61.9 m -58.39 -38.95 78.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.973 0.416 . . . . 0.0 110.831 175.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.01 -36.45 83.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.841 176.385 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -59.52 -56.51 21.09 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.871 0.367 . . . . 0.0 110.68 177.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 577' ' ' VAL . . . . . 0.687 HG22 ' HG2' ' A' ' 595' ' ' LYS . 0.7 OUTLIER -61.84 -45.73 98.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.093 -179.617 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 578' ' ' ILE . . . . . 0.625 ' HA ' HD13 ' A' ' 581' ' ' LEU . 27.6 mt -60.35 -41.24 86.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.693 0.282 . . . . 0.0 111.216 -178.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 47.4 t -65.35 -34.91 79.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.1 0.476 . . . . 0.0 110.554 176.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 86.5 t90 -74.15 -36.06 64.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.078 -178.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 581' ' ' LEU . . . . . 0.786 HD12 ' HG3' ' A' ' 543' ' ' GLU . 36.7 mt -59.26 -45.28 91.63 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.984 178.442 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -71.23 -25.8 62.65 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.793 179.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -87.13 -32.09 20.06 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.045 -176.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -123.54 48.4 1.86 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.08 0.467 . . . . 0.0 110.157 -179.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.76 -24.16 65.52 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.631 178.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 586' ' ' LEU . . . . . 0.443 ' N ' HD21 ' A' ' 586' ' ' LEU . 1.8 mm? -92.65 6.01 48.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.74 -175.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 587' ' ' ALA . . . . . 0.46 ' HB3' ' HB2' ' A' ' 591' ' ' GLU . . . -63.39 158.19 21.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.138 0.494 . . . . 0.0 110.364 176.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -84.33 171.51 12.61 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.654 176.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 589' ' ' LYS . . . . . 0.592 ' HG3' ' N ' ' A' ' 590' ' ' ASP . 28.5 pttt -56.8 -44.14 81.62 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.154 0.284 . . . . 0.0 111.238 -170.148 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 590' ' ' ASP . . . . . 0.592 ' N ' ' HG3' ' A' ' 589' ' ' LYS . 13.9 m-20 -63.73 -27.57 69.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.991 -0.549 . . . . 0.0 112.136 -173.192 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . 0.46 ' HB2' ' HB3' ' A' ' 587' ' ' ALA . 23.7 mm-40 -65.57 -43.98 88.12 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 177.454 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 592' ' ' PHE . . . . . 0.725 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 83.7 m-85 -73.03 -37.56 66.85 Favored 'General case' 0 C--O 1.216 -0.675 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.187 176.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . 0.55 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 6.2 mm-40 -59.45 -38.16 80.04 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.976 0.417 . . . . 0.0 111.108 -178.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -72.25 -39.52 68.36 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.445 174.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 595' ' ' LYS . . . . . 0.687 ' HG2' HG22 ' A' ' 577' ' ' VAL . 0.4 OUTLIER -59.19 -36.8 76.01 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 121.128 0.49 . . . . 0.0 109.689 175.404 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 596' ' ' ARG . . . . . 0.574 ' HB2' HD23 ' A' ' 542' ' ' LEU . 18.4 ttp85 -61.07 -45.61 94.05 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.522 177.612 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . 0.557 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 45.5 mmtt -66.35 -39.52 89.23 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.38 177.408 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . 0.848 ' HB3' ' HZ3' ' A' ' 573' ' ' LYS . 32.0 mm-40 -59.64 -51.81 68.23 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.232 0.539 . . . . 0.0 110.903 177.374 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.677 ' O ' HG11 ' A' ' 602' ' ' VAL . 2.3 tm? -66.29 -41.68 89.45 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.525 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . 0.496 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 30.8 tt0 -55.59 -48.65 74.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.444 178.139 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 601' ' ' GLN . . . . . 0.557 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 82.0 mt-30 -69.85 -22.43 63.27 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -177.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . 0.677 HG11 ' O ' ' A' ' 599' ' ' LEU . 1.1 p -75.54 -41.45 41.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.327 174.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 603' ' ' CYS . . . . . 0.614 ' HA ' HD11 ' A' ' 606' ' ' ILE . 14.6 p -82.68 -27.17 31.45 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.653 -177.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 604' ' ' ASN . . . . . 0.608 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 43.8 t30 -50.46 -51.72 61.76 Favored Pre-proline 0 N--CA 1.47 0.568 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -175.691 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 605' ' ' PRO . . . . . 0.608 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 53.2 Cg_exo -60.29 -30.54 91.32 Favored 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 122.161 1.908 . . . . 0.0 112.032 179.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 606' ' ' ILE . . . . . 0.679 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -82.06 -40.51 17.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.907 -178.74 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 607' ' ' ILE . . . . . 0.612 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -66.76 -32.09 56.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.396 178.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 23.0 t -66.25 -17.8 64.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.237 177.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -107.67 2.89 34.18 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 121.139 -0.553 . . . . 0.0 112.137 177.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 610' ' ' LEU . . . . . 0.796 HD21 ' HB ' ' A' ' 562' ' ' ILE . 66.0 mt . . . . . 0 C--O 1.247 0.926 0 CA-C-O 119.023 -0.513 . . . . 0.0 110.226 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 538' ' ' ALA . . . . . 0.59 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . . . . . . 0 N--CA 1.456 -0.16 0 CA-C-O 120.38 0.133 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -63.59 -40.11 96.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.133 0.492 . . . . 0.0 110.063 178.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -62.11 -46.76 87.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.394 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 541' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 545' ' ' TYR . . . -61.52 -40.08 93.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.611 176.044 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.606 ' HB3' HD23 ' A' ' 581' ' ' LEU . 0.2 OUTLIER -71.96 -48.38 45.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.92 -174.146 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 543' ' ' GLU . . . . . 0.686 ' HG3' HD12 ' A' ' 581' ' ' LEU . 9.7 tt0 -68.41 -38.98 81.76 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -175.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 22.9 m -66.95 -37.04 83.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.175 176.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . 0.409 ' HB2' ' O ' ' A' ' 541' ' ' ALA . 2.4 t80 -64.24 -49.32 72.38 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.358 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.58 -41.39 92.95 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.965 0.412 . . . . 0.0 110.285 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -58.25 -41.53 84.44 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.633 174.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 -61.09 -49.62 76.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.998 -178.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 549' ' ' MET . . . . . 0.504 ' HG3' ' CD1' ' A' ' 599' ' ' LEU . 19.2 mmt -65.83 -43.29 88.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.347 0.594 . . . . 0.0 110.228 -179.137 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 550' ' ' LYS . . . . . 0.609 ' HG3' HD22 ' A' ' 571' ' ' LEU . 4.1 ttmm -59.46 -46.03 89.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.023 176.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 10.4 t -65.97 -35.85 81.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.923 179.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -63.96 -46.14 86.01 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -177.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 553' ' ' VAL . . . . . 0.644 HG13 HG13 ' A' ' 570' ' ' VAL . 34.9 m -76.73 -35.16 24.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.333 0.587 . . . . 0.0 111.059 -178.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 554' ' ' GLU . . . . . 0.598 ' HA ' ' HE3' ' A' ' 567' ' ' LYS . 0.7 OUTLIER -86.4 4.38 39.71 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.366 179.473 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 555' ' ' ASP . . . . . 0.586 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 21.4 t70 -65.04 136.86 57.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.826 175.232 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 556' ' ' GLU . . . . . 0.617 ' HA ' ' HE3' ' A' ' 559' ' ' LYS . 10.3 pt-20 -69.96 -12.05 61.33 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -174.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -100.61 -36.18 4.12 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.488 -0.863 . . . . 0.0 111.304 177.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . 0.645 ' HA ' ' HG3' ' A' ' 561' ' ' LYS . 25.3 mt -81.44 -12.17 59.0 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 179.398 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . 0.617 ' HE3' ' HA ' ' A' ' 556' ' ' GLU . 22.1 pttp -70.39 111.29 5.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.464 0.649 . . . . 0.0 109.25 173.198 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 116.02 -27.4 8.23 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 -171.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 561' ' ' LYS . . . . . 0.645 ' HG3' ' HA ' ' A' ' 558' ' ' LEU . 31.0 mmtm -75.14 -38.07 61.16 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 171.427 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . 0.662 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.7 tt -106.8 152.24 8.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 CA-C-N 114.82 -1.082 . . . . 0.0 109.666 177.395 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.15 154.64 24.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.626 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 564' ' ' GLU . . . . . 0.544 ' HB3' ' HE2' ' A' ' 568' ' ' LYS . 32.4 mt-10 -54.51 -46.06 73.42 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 120.434 0.159 . . . . 0.0 111.337 -173.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -57.63 -42.88 84.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.773 -175.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 566' ' ' ASP . . . . . 0.494 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 1.6 m-20 -67.88 -48.73 65.26 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.126 0.489 . . . . 0.0 109.746 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.643 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 84.1 tttt -54.81 -48.06 73.25 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.162 -0.927 . . . . 0.0 110.927 176.17 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . 0.544 ' HE2' ' HB3' ' A' ' 564' ' ' GLU . 63.5 mttm -59.75 -50.37 74.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 569' ' ' LYS . . . . . 0.52 ' HZ1' ' HB2' ' A' ' 569' ' ' LYS . 0.0 OUTLIER -64.36 -43.08 95.67 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.664 -172.022 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 570' ' ' VAL . . . . . 0.644 HG13 HG13 ' A' ' 553' ' ' VAL . 13.6 p -70.31 -43.11 78.74 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.016 -179.201 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . 0.609 HD22 ' HG3' ' A' ' 550' ' ' LYS . 41.7 mt -58.47 -48.58 80.3 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.086 0.469 . . . . 0.0 110.333 177.361 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 572' ' ' ASP . . . . . 0.411 ' O ' ' HG3' ' A' ' 576' ' ' GLU . 34.1 t70 -61.1 -47.06 88.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.574 -178.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 573' ' ' LYS . . . . . 0.616 ' CG ' HG12 ' A' ' 602' ' ' VAL . 44.5 tptt -64.03 -40.23 95.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.093 177.247 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 574' ' ' CYS . . . . . 0.447 ' SG ' HD23 ' A' ' 599' ' ' LEU . 97.3 m -61.73 -38.87 89.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.926 0.393 . . . . 0.0 110.114 177.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.66 -37.02 85.34 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.739 176.047 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 576' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 572' ' ' ASP . 47.8 mt-10 -59.55 -55.58 32.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.963 0.411 . . . . 0.0 110.442 177.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 577' ' ' VAL . . . . . 0.558 HG12 ' O ' ' A' ' 573' ' ' LYS . 1.5 p -66.93 -40.5 85.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.647 -179.309 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 578' ' ' ILE . . . . . 0.435 ' HA ' ' CD1' ' A' ' 581' ' ' LEU . 19.0 mt -61.4 -38.3 79.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.866 0.365 . . . . 0.0 111.023 178.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 24.4 m -71.72 -27.01 62.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.134 0.492 . . . . 0.0 110.509 175.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 84.9 t90 -74.36 -37.62 63.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.561 177.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 581' ' ' LEU . . . . . 0.686 HD12 ' HG3' ' A' ' 543' ' ' GLU . 34.6 mt -61.15 -40.76 95.08 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.385 176.246 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -71.29 -24.19 62.1 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.809 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -95.8 -32.32 12.75 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.846 -175.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -114.39 47.96 1.17 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.207 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.71 -19.56 59.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.135 178.049 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -97.07 5.99 49.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.265 -177.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -66.09 162.03 20.46 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.999 0.428 . . . . 0.0 110.267 176.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -106.52 -177.33 3.33 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.271 177.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 589' ' ' LYS . . . . . 0.42 ' O ' ' HG3' ' A' ' 593' ' ' GLU . 0.0 OUTLIER -56.16 -48.27 76.62 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.329 0.862 . . . . 0.0 113.329 -165.573 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 590' ' ' ASP . . . . . 0.459 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 0.9 OUTLIER -68.63 -25.53 64.89 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 113.353 0.872 . . . . 0.0 113.353 -175.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -60.76 -45.9 92.53 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 173.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 592' ' ' PHE . . . . . 0.59 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 92.9 m-85 -71.74 -45.71 60.86 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.517 179.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . 0.459 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 46.7 mt-10 -59.1 -40.0 83.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.751 0.31 . . . . 0.0 111.103 -176.293 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -69.21 -38.68 78.71 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.262 175.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 595' ' ' LYS . . . . . 0.46 ' HD3' ' HA ' ' A' ' 595' ' ' LYS . 12.6 tppt? -64.09 -35.41 80.67 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 120.899 0.38 . . . . 0.0 110.381 177.486 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 596' ' ' ARG . . . . . 0.653 ' O ' ' HG3' ' A' ' 600' ' ' GLU . 10.1 ttm180 -58.49 -47.64 83.43 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.273 177.662 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . 0.58 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 26.6 mmmt -55.98 -42.02 75.7 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.818 177.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . 0.415 ' HB3' ' HZ3' ' A' ' 573' ' ' LYS . 12.8 mm-40 -59.61 -53.12 61.72 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 121.847 0.832 . . . . 0.0 111.009 178.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.616 ' O ' HG11 ' A' ' 602' ' ' VAL . 2.4 tm? -59.05 -43.85 91.73 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.881 -1.054 . . . . 0.0 109.692 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . 0.653 ' HG3' ' O ' ' A' ' 596' ' ' ARG . 34.8 mt-10 -57.27 -38.14 73.46 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.353 179.069 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 601' ' ' GLN . . . . . 0.58 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 25.0 mt-30 -68.18 -31.83 71.65 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . 0.616 HG12 ' CG ' ' A' ' 573' ' ' LYS . 1.3 p -74.39 -38.9 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.858 178.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 603' ' ' CYS . . . . . 0.687 ' HB2' HD13 ' A' ' 607' ' ' ILE . 24.6 p -84.28 -25.93 28.97 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.375 -177.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 604' ' ' ASN . . . . . 0.606 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 23.1 t30 -49.1 -54.17 31.43 Favored Pre-proline 0 N--CA 1.474 0.727 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -176.463 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 605' ' ' PRO . . . . . 0.606 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 52.0 Cg_exo -59.17 -24.84 75.75 Favored 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 122.084 1.856 . . . . 0.0 112.45 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 606' ' ' ILE . . . . . 0.662 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -90.61 -40.76 12.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.437 -177.901 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 607' ' ' ILE . . . . . 0.687 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.2 mp -65.37 -26.94 40.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.951 -179.112 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 8.4 t -62.68 -15.92 54.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.743 178.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -120.83 11.08 10.19 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.602 178.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 610' ' ' LEU . . . . . 0.637 HD23 HD23 ' A' ' 558' ' ' LEU . 62.1 mt . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.522 -0.751 . . . . 0.0 110.61 -178.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 538' ' ' ALA . . . . . 0.669 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . . . . . . 0 CA--C 1.52 -0.189 0 CA-C-O 120.738 0.304 . . . . 0.0 110.731 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 539' ' ' LYS . . . . . 0.862 ' HZ3' ' HB3' ' A' ' 581' ' ' LEU . 2.4 tmtm? -65.46 -48.78 71.49 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.357 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -59.77 -47.27 86.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.434 178.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -59.31 -44.52 92.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.14 178.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 542' ' ' LEU . . . . . 0.651 HD23 ' O ' ' A' ' 592' ' ' PHE . 0.2 OUTLIER -66.83 -46.9 73.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.482 -176.167 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 543' ' ' GLU . . . . . 0.939 ' HG3' HD12 ' A' ' 581' ' ' LEU . 4.2 tt0 -66.0 -45.44 81.54 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.691 -178.05 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 544' ' ' SER . . . . . 0.468 ' O ' ' HB2' ' A' ' 548' ' ' ASN . 9.4 t -61.81 -34.4 75.86 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 177.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . 0.47 ' CD1' HD13 ' A' ' 599' ' ' LEU . 3.5 t80 -67.62 -50.05 59.98 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 -179.319 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -66.36 -42.5 87.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.504 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 547' ' ' PHE . . . . . 0.41 ' CD1' HD13 ' A' ' 578' ' ' ILE . 2.3 m-85 -57.98 -40.06 79.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.553 175.316 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 548' ' ' ASN . . . . . 0.468 ' HB2' ' O ' ' A' ' 544' ' ' SER . 30.1 t-20 -65.64 -49.51 68.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.154 -176.228 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 549' ' ' MET . . . . . 0.465 ' HG2' ' O ' ' A' ' 545' ' ' TYR . 16.5 mmt -63.99 -43.53 95.43 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 121.553 0.692 . . . . 0.0 109.723 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 550' ' ' LYS . . . . . 0.597 ' HG3' HD22 ' A' ' 571' ' ' LEU . 3.4 ttmm -57.72 -46.81 83.9 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.72 -1.127 . . . . 0.0 111.306 176.001 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 69.0 m -65.93 -35.78 81.55 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.73 178.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -66.04 -46.1 79.03 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -177.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 553' ' ' VAL . . . . . 0.719 HG13 HG13 ' A' ' 570' ' ' VAL . 33.8 m -75.67 -31.09 22.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.468 0.651 . . . . 0.0 111.255 -178.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 554' ' ' GLU . . . . . 0.629 ' HA ' ' NZ ' ' A' ' 567' ' ' LYS . 0.1 OUTLIER -86.63 5.47 35.72 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.818 178.357 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 555' ' ' ASP . . . . . 0.419 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 31.9 t70 -76.48 129.26 36.25 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.479 174.564 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 556' ' ' GLU . . . . . 0.466 ' O ' ' HG2' ' A' ' 559' ' ' LYS . 62.5 mm-40 -71.31 -5.03 29.28 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -178.341 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 557' ' ' GLY . . . . . 0.437 ' O ' ' HE3' ' A' ' 561' ' ' LYS . . . -96.79 -30.41 7.58 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.165 -1.017 . . . . 0.0 110.789 174.583 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 558' ' ' LEU . . . . . 0.892 HD22 ' HD2' ' A' ' 561' ' ' LYS . 2.0 mt -86.95 0.55 54.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.238 -0.481 . . . . 0.0 111.431 179.137 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' ' 556' ' ' GLU . 20.9 ptmt -64.34 132.92 51.55 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 173.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 94.31 -33.5 5.24 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.491 -0.861 . . . . 0.0 111.559 -176.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 561' ' ' LYS . . . . . 0.892 ' HD2' HD22 ' A' ' 558' ' ' LEU . 81.5 mttt -67.73 -36.77 81.19 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 176.222 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 562' ' ' ILE . . . . . 0.625 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.5 tt -113.34 148.23 16.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.572 176.114 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.11 143.83 47.21 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 173.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -60.14 -30.85 69.57 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.327 -175.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.89 97.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.629 0.252 . . . . 0.0 111.129 176.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 566' ' ' ASP . . . . . 0.485 ' HA ' ' HD3' ' A' ' 569' ' ' LYS . 3.4 m-20 -67.77 -43.66 79.3 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 177.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 567' ' ' LYS . . . . . 0.629 ' NZ ' ' HA ' ' A' ' 554' ' ' GLU . 27.8 tttp -54.05 -48.97 70.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.586 174.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -65.23 -46.23 81.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.711 -178.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 569' ' ' LYS . . . . . 0.485 ' HD3' ' HA ' ' A' ' 566' ' ' ASP . 17.7 pttt -66.24 -42.6 88.37 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.62 -0.263 . . . . 0.0 110.591 -174.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 570' ' ' VAL . . . . . 0.719 HG13 HG13 ' A' ' 553' ' ' VAL . 14.0 p -70.01 -40.25 78.33 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.84 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 571' ' ' LEU . . . . . 0.597 HD22 ' HG3' ' A' ' 550' ' ' LYS . 31.9 mt -59.03 -48.14 82.66 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.957 0.408 . . . . 0.0 110.091 176.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -62.87 -46.14 89.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.621 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 573' ' ' LYS . . . . . 0.673 ' CG ' HG12 ' A' ' 602' ' ' VAL . 50.2 tptt -62.45 -41.07 98.48 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.862 177.143 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 574' ' ' CYS . . . . . 0.467 ' HG ' HG22 ' A' ' 570' ' ' VAL . 95.5 m -61.17 -38.21 85.65 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.365 175.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -65.12 -36.64 84.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.034 175.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 576' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' A' ' 573' ' ' LYS . 60.8 mt-10 -58.38 -56.13 26.04 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.287 0.565 . . . . 0.0 110.829 176.407 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 577' ' ' VAL . . . . . 0.536 HG22 ' HG2' ' A' ' 595' ' ' LYS . 1.3 p -66.12 -39.88 85.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.414 -178.521 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 578' ' ' ILE . . . . . 0.477 ' HA ' HD13 ' A' ' 581' ' ' LEU . 19.2 mt -64.23 -39.21 84.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 CA-C-O 120.696 0.284 . . . . 0.0 111.643 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 36.0 p -72.12 -32.84 67.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.944 0.402 . . . . 0.0 110.465 175.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 59.3 t90 -65.97 -40.88 91.63 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-O 121.583 0.706 . . . . 0.0 109.105 176.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 581' ' ' LEU . . . . . 0.939 HD12 ' HG3' ' A' ' 543' ' ' GLU . 15.8 mt -57.67 -44.29 85.63 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.34 178.123 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -69.33 -27.66 65.56 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.986 178.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -89.32 -32.35 17.38 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.949 -175.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -112.35 57.48 0.65 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.032 -178.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 4.1 p -68.77 -19.62 64.33 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.628 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -96.11 5.84 50.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.964 0.412 . . . . 0.0 110.818 -177.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -65.62 153.17 42.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.737 177.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -95.51 175.5 6.54 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.385 176.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 589' ' ' LYS . . . . . 0.503 ' O ' ' HG3' ' A' ' 593' ' ' GLU . 19.2 pttp -55.56 -45.16 77.31 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -167.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 590' ' ' ASP . . . . . 0.601 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 8.5 p-10 -65.41 -26.38 67.96 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.532 0.568 . . . . 0.0 112.532 -175.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -60.75 -43.93 97.33 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 172.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 592' ' ' PHE . . . . . 0.669 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 70.2 m-85 -70.53 -44.48 67.44 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.705 176.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 593' ' ' GLU . . . . . 0.601 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 44.1 mt-10 -60.11 -39.71 87.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.368 -176.361 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 594' ' ' HIS . . . . . 0.403 ' O ' ' HG3' ' A' ' 598' ' ' GLU . 18.2 m80 -70.45 -37.56 74.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.844 0.354 . . . . 0.0 110.464 175.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 595' ' ' LYS . . . . . 0.536 ' HG2' HG22 ' A' ' 577' ' ' VAL . 0.3 OUTLIER -65.15 -35.83 82.33 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.576 0.703 . . . . 0.0 109.414 177.504 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 596' ' ' ARG . . . . . 0.587 ' HB2' HD23 ' A' ' 542' ' ' LEU . 15.1 ttp85 -60.63 -40.45 91.97 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 114.675 -1.148 . . . . 0.0 109.526 178.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 597' ' ' LYS . . . . . 0.519 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 48.6 mmtm -58.57 -46.69 86.37 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.278 175.513 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 598' ' ' GLU . . . . . 0.605 ' HB3' ' HZ2' ' A' ' 573' ' ' LYS . 58.8 mt-10 -60.44 -57.25 13.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.541 -178.195 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 599' ' ' LEU . . . . . 0.643 ' O ' HG11 ' A' ' 602' ' ' VAL . 2.5 tm? -58.54 -41.69 86.13 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.835 -178.146 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 600' ' ' GLU . . . . . 0.565 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 25.1 tt0 -59.57 -38.63 81.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.008 179.195 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 601' ' ' GLN . . . . . 0.519 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 84.2 mt-30 -69.58 -28.82 66.29 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 178.179 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 602' ' ' VAL . . . . . 0.673 HG12 ' CG ' ' A' ' 573' ' ' LYS . 1.4 p -75.0 -39.35 44.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.508 178.296 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 603' ' ' CYS . . . . . 0.692 ' HB2' HD13 ' A' ' 607' ' ' ILE . 21.4 p -83.96 -28.17 27.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.949 -177.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 604' ' ' ASN . . . . . 0.614 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 23.1 t30 -50.5 -54.35 36.12 Favored Pre-proline 0 N--CA 1.472 0.652 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -176.513 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 605' ' ' PRO . . . . . 0.614 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 45.4 Cg_exo -61.38 -20.34 67.94 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 122.326 2.017 . . . . 0.0 112.834 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 606' ' ' ILE . . . . . 0.647 ' O ' HD11 ' A' ' 610' ' ' LEU . 0.0 OUTLIER -91.72 -41.0 12.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.23 -178.899 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 607' ' ' ILE . . . . . 0.692 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.1 mp -63.86 -17.69 20.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 C-N-CA 123.653 0.781 . . . . 0.0 112.079 -174.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 5.2 p -67.52 -1.4 4.92 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -178.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -131.66 16.41 5.09 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 110.424 -1.07 . . . . 0.0 110.424 176.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 610' ' ' LEU . . . . . 0.738 ' HG ' HD23 ' A' ' 558' ' ' LEU . 10.6 mp . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.33 -0.843 . . . . 0.0 110.309 -174.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 N--CA 1.475 0.815 0 CA-C-O 121.073 0.464 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.529 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . -65.96 -25.17 66.99 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.49 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . 0.545 ' HE3' HG22 ' A' ' 585' ' ' THR . 13.7 tmtt? -64.17 -48.51 75.67 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 176.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -63.29 -41.22 98.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.11 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -62.12 -44.9 95.63 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.055 0.455 . . . . 0.0 110.7 177.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.694 ' HB3' HD23 ' A' ' 581' ' ' LEU . 0.3 OUTLIER -64.87 -47.31 78.34 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.688 -177.018 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . 0.652 ' HG3' HD12 ' A' ' 581' ' ' LEU . 8.5 tt0 -67.06 -42.14 85.27 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.53 -176.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 39.7 m -63.46 -42.01 98.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.229 177.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . 0.505 ' CD1' HD13 ' A' ' 599' ' ' LEU . 1.5 t80 -61.54 -49.13 77.95 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 178.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -64.53 -41.99 96.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.305 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -58.08 -43.48 87.06 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.63 175.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -61.23 -49.62 76.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.936 -178.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 549' ' ' MET . . . . . 0.473 ' HE3' ' HA ' ' A' ' 549' ' ' MET . 21.8 mmt -64.57 -42.63 95.53 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.405 0.621 . . . . 0.0 110.291 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . 0.592 ' O ' ' HB2' ' A' ' 554' ' ' GLU . 4.4 ttmm -59.51 -45.98 90.17 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.809 177.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 66.3 m -65.52 -35.41 80.78 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.435 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -67.42 -46.8 72.12 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -177.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 553' ' ' VAL . . . . . 0.731 HG13 HG13 ' A' ' 570' ' ' VAL . 35.0 m -74.92 -34.35 32.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.186 0.517 . . . . 0.0 111.108 -179.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 554' ' ' GLU . . . . . 0.592 ' HB2' ' O ' ' A' ' 550' ' ' LYS . 0.9 OUTLIER -86.37 1.19 52.1 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.776 179.521 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 555' ' ' ASP . . . . . 0.49 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 14.7 t70 -63.07 141.93 58.58 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 173.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -69.22 -13.71 62.56 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -173.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -103.2 -42.89 1.97 Allowed Glycine 0 N--CA 1.441 -0.991 0 C-N-CA 119.494 -1.336 . . . . 0.0 111.471 176.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . 0.921 HD22 ' HD2' ' A' ' 561' ' ' LYS . 17.3 mt -70.4 -14.73 62.68 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.56 0.219 . . . . 0.0 111.256 177.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . 0.452 ' HD3' ' N ' ' A' ' 560' ' ' GLY . 0.1 OUTLIER -61.76 -19.0 61.99 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.343 178.664 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 560' ' ' GLY . . . . . 0.452 ' N ' ' HD3' ' A' ' 559' ' ' LYS . . . -109.46 0.85 30.88 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.743 177.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . 0.921 ' HD2' HD22 ' A' ' 558' ' ' LEU . 82.5 mttt -96.36 -28.6 14.4 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.2 0.524 . . . . 0.0 110.203 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . 0.626 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.9 tt -105.98 156.78 6.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.407 177.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 563' ' ' SER . . . . . 0.432 ' N ' HG12 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -79.47 148.97 31.68 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 178.909 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -54.55 -44.73 73.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.818 0.342 . . . . 0.0 111.086 -173.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -59.49 -43.25 93.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.067 -177.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 566' ' ' ASP . . . . . 0.456 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 17.1 m-20 -67.07 -45.74 76.42 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.285 0.564 . . . . 0.0 109.876 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.434 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 52.0 tttm -54.34 -47.66 72.31 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.892 -1.049 . . . . 0.0 110.873 174.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -63.88 -49.36 73.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.887 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 569' ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 18.7 ptmt -64.85 -42.09 95.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.688 -172.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 570' ' ' VAL . . . . . 0.731 HG13 HG13 ' A' ' 553' ' ' VAL . 13.2 p -70.2 -40.55 78.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.685 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . 0.559 HD12 ' HG2' ' A' ' 554' ' ' GLU . 44.5 mt -60.37 -47.74 84.75 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.745 0.307 . . . . 0.0 110.592 177.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -62.38 -43.92 97.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.379 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 573' ' ' LYS . . . . . 0.665 ' CG ' HG12 ' A' ' 602' ' ' VAL . 49.1 tptt -64.68 -41.79 95.79 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.772 177.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 574' ' ' CYS . . . . . 0.403 ' SG ' HD23 ' A' ' 599' ' ' LEU . 67.1 m -62.18 -39.26 92.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.481 176.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.68 -36.16 81.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.479 175.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 576' ' ' GLU . . . . . 0.442 ' HB3' ' O ' ' A' ' 573' ' ' LYS . 1.5 tt0 -58.36 -56.36 23.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.163 177.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 577' ' ' VAL . . . . . 0.585 HG12 ' O ' ' A' ' 573' ' ' LYS . 1.4 p -66.56 -42.78 90.53 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.532 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.445 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 578' ' ' ILE . . . . . 0.417 ' HA ' HD13 ' A' ' 581' ' ' LEU . 24.3 mt -61.83 -41.74 91.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 111.706 0.262 . . . . 0.0 111.706 -178.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 20.9 t -72.02 -25.93 62.01 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.206 0.527 . . . . 0.0 110.273 177.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 580' ' ' TRP . . . . . 0.68 ' CZ2' ' HG3' ' A' ' 591' ' ' GLU . 57.8 t90 -77.44 -39.35 47.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.083 176.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 581' ' ' LEU . . . . . 0.694 HD23 ' HB3' ' A' ' 542' ' ' LEU . 38.9 mt -56.52 -45.32 81.17 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.417 0.627 . . . . 0.0 110.232 176.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -65.47 -22.2 66.72 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.754 -1.112 . . . . 0.0 110.714 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -97.78 -32.43 11.73 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.181 -175.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -123.36 55.06 1.24 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.124 0.488 . . . . 0.0 110.708 -175.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 585' ' ' THR . . . . . 0.545 HG22 ' HE3' ' A' ' 539' ' ' LYS . 7.3 p -67.11 -21.55 65.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.635 0.731 . . . . 0.0 110.435 174.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . 0.511 HD22 ' OG1' ' A' ' 585' ' ' THR . 2.2 mm? -90.91 5.4 48.77 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.521 -175.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . 0.465 ' HB3' ' HB3' ' A' ' 591' ' ' GLU . . . -62.43 157.31 20.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.436 177.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -75.48 166.26 23.85 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 176.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -56.35 -44.61 80.23 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.093 -177.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 590' ' ' ASP . . . . . 0.53 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 12.0 m-20 -62.89 -26.99 69.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.93 -176.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . 0.68 ' HG3' ' CZ2' ' A' ' 580' ' ' TRP . 17.5 tp10 -65.93 -43.81 86.98 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 592' ' ' PHE . . . . . 0.583 ' O ' HD23 ' A' ' 542' ' ' LEU . 89.3 m-85 -71.24 -40.15 71.22 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.85 176.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . 0.53 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 55.2 mm-40 -58.19 -42.05 85.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.973 0.416 . . . . 0.0 110.393 -179.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -71.4 -37.19 71.55 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.411 176.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . 0.428 ' HG2' HG22 ' A' ' 577' ' ' VAL . 7.5 tppt? -62.96 -36.81 84.69 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.141 0.496 . . . . 0.0 110.02 178.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 596' ' ' ARG . . . . . 0.6 ' HB2' HD23 ' A' ' 542' ' ' LEU . 17.7 ttp180 -60.16 -48.88 79.86 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.088 176.315 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . 0.602 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 32.6 mmtp -55.78 -43.36 76.69 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.663 177.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . 0.421 ' HB3' ' NZ ' ' A' ' 573' ' ' LYS . 45.0 mt-10 -60.02 -53.61 55.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.877 177.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.648 ' O ' HG11 ' A' ' 602' ' ' VAL . 2.0 tm? -60.25 -42.88 96.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.708 -178.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . 0.559 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 48.2 mt-10 -57.51 -44.8 85.33 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.917 177.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 601' ' ' GLN . . . . . 0.602 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 49.5 mt-30 -65.95 -28.44 68.91 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . 0.665 HG12 ' CG ' ' A' ' 573' ' ' LYS . 1.4 p -76.24 -40.68 36.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 120.309 -0.556 . . . . 0.0 110.811 178.024 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 603' ' ' CYS . . . . . 0.628 ' HB2' HD13 ' A' ' 607' ' ' ILE . 15.3 p -83.3 -27.28 29.91 Favored 'General case' 0 C--O 1.219 -0.5 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.584 -177.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 604' ' ' ASN . . . . . 0.598 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 23.3 t30 -50.39 -52.99 49.76 Favored Pre-proline 0 N--CA 1.471 0.622 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -177.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 605' ' ' PRO . . . . . 0.598 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 51.7 Cg_exo -60.48 -21.61 68.78 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 122.179 1.919 . . . . 0.0 112.453 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 606' ' ' ILE . . . . . 0.626 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -91.98 -41.32 12.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.36 -179.798 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 607' ' ' ILE . . . . . 0.628 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -68.31 -29.51 44.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 C-N-CA 123.279 0.632 . . . . 0.0 111.233 -178.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 4.1 p -67.49 -11.79 58.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.96 0.409 . . . . 0.0 111.595 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -116.94 17.32 13.03 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.402 176.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 610' ' ' LEU . . . . . 0.407 HD23 HD23 ' A' ' 558' ' ' LEU . 93.4 mt . . . . . 0 C--O 1.251 1.167 0 CA-C-O 118.712 -0.661 . . . . 0.0 110.514 -178.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 5.7 p . . . . . 0 N--CA 1.479 0.976 0 CA-C-O 121.028 0.442 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.717 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . -71.9 -36.33 69.99 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.702 -175.087 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . 0.756 ' HG2' HD22 ' A' ' 581' ' ' LEU . 9.3 tmtt? -66.43 -42.43 87.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.086 0.47 . . . . 0.0 109.979 178.209 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -62.62 -41.27 98.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.135 177.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -63.83 -47.52 80.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.585 175.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.793 ' HB3' HD23 ' A' ' 581' ' ' LEU . 0.3 OUTLIER -63.24 -47.87 80.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.826 -0.624 . . . . 0.0 112.234 -175.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . 0.667 ' HG3' HD12 ' A' ' 581' ' ' LEU . 9.8 tt0 -68.21 -38.9 82.42 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-N 116.341 -0.39 . . . . 0.0 109.997 -176.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 15.3 t -66.31 -41.09 90.21 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.818 176.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . 0.516 ' CD1' HD13 ' A' ' 599' ' ' LEU . 2.2 t80 -61.83 -48.89 78.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.985 178.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.05 -43.62 91.68 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.321 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.453 ' CD1' HD13 ' A' ' 578' ' ' ILE . 1.6 m-85 -57.55 -41.49 81.09 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.527 175.189 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 -61.57 -50.18 73.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.019 -178.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 549' ' ' MET . . . . . 0.425 ' HE3' ' HA ' ' A' ' 549' ' ' MET . 22.8 mmt -65.91 -42.29 90.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.634 0.731 . . . . 0.0 110.249 -179.103 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . 0.58 ' HG3' HD22 ' A' ' 571' ' ' LEU . 2.0 ttmm -59.62 -45.28 92.42 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.643 -1.162 . . . . 0.0 111.067 176.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 11.0 t -66.64 -37.02 83.96 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.926 178.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -62.76 -45.41 92.84 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -176.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 553' ' ' VAL . . . . . 0.557 HG13 HG13 ' A' ' 570' ' ' VAL . 35.9 m -76.25 -34.89 26.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.468 0.651 . . . . 0.0 111.206 -178.505 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 554' ' ' GLU . . . . . 0.52 ' HG2' HD12 ' A' ' 571' ' ' LEU . 0.3 OUTLIER -89.21 4.88 47.18 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.212 -0.904 . . . . 0.0 112.313 179.831 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 555' ' ' ASP . . . . . 0.58 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 31.9 t70 -65.71 138.34 57.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.354 0.597 . . . . 0.0 111.533 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 556' ' ' GLU . . . . . 0.402 ' C ' ' HG3' ' A' ' 559' ' ' LYS . 7.8 pt-20 -72.14 -8.86 57.06 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.017 -0.992 . . . . 0.0 113.111 -178.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . 0.54 ' O ' ' HE3' ' A' ' 561' ' ' LYS . . . -102.24 -36.44 3.61 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.547 -0.835 . . . . 0.0 111.101 175.147 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . 0.862 HD22 ' HD2' ' A' ' 561' ' ' LYS . 1.7 mt -80.58 4.04 19.84 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.183 -0.508 . . . . 0.0 112.06 178.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . 0.402 ' HG3' ' C ' ' A' ' 556' ' ' GLU . 0.0 OUTLIER -57.79 129.19 40.76 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.308 0.575 . . . . 0.0 110.889 176.848 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 87.14 -14.35 57.59 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.729 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . 0.862 ' HD2' HD22 ' A' ' 558' ' ' LEU . 82.1 mttt -78.18 -27.77 48.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.22 0.534 . . . . 0.0 110.174 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . 0.689 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.4 tt -117.1 153.25 18.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 174.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 21.3 t -81.35 156.39 25.5 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . 0.614 ' HB3' ' HE2' ' A' ' 568' ' ' LYS . 14.6 mm-40 -55.63 -46.29 77.45 Favored 'General case' 0 C--O 1.221 -0.409 0 O-C-N 123.023 0.202 . . . . 0.0 110.804 -174.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -57.7 -43.5 85.19 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -175.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 566' ' ' ASP . . . . . 0.48 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 6.5 m-20 -68.25 -46.69 69.78 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.487 ' HE3' ' HG2' ' A' ' 554' ' ' GLU . 75.2 tttt -54.78 -48.41 72.71 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.816 175.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . 0.614 ' HE2' ' HB3' ' A' ' 564' ' ' GLU . 65.3 mttm -63.26 -46.77 85.3 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.623 -179.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 569' ' ' LYS . . . . . 0.69 ' HZ1' ' HB2' ' A' ' 569' ' ' LYS . 0.0 OUTLIER -64.05 -42.56 96.99 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.32 -174.348 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 570' ' ' VAL . . . . . 0.557 HG13 HG13 ' A' ' 553' ' ' VAL . 12.5 p -70.6 -42.26 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.737 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . 0.58 HD22 ' HG3' ' A' ' 550' ' ' LYS . 28.4 mt -59.72 -45.92 90.69 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.606 0.241 . . . . 0.0 110.693 178.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -62.15 -47.35 84.95 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.45 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 573' ' ' LYS . . . . . 0.638 ' CG ' HG12 ' A' ' 602' ' ' VAL . 49.6 tptt -64.95 -39.94 94.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.012 179.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 574' ' ' CYS . . . . . 0.45 ' SG ' HD23 ' A' ' 599' ' ' LEU . 68.2 m -62.42 -41.31 98.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.968 0.413 . . . . 0.0 110.114 177.058 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -41.98 97.78 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.411 174.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -59.76 -52.6 64.79 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.074 -178.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 577' ' ' VAL . . . . . 0.697 HG22 HD11 ' A' ' 542' ' ' LEU . 1.5 p -66.83 -39.7 84.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.354 177.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 578' ' ' ILE . . . . . 0.643 ' HA ' HD13 ' A' ' 581' ' ' LEU . 14.4 mt -60.71 -41.46 88.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.864 0.364 . . . . 0.0 110.963 179.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 35.4 m -68.39 -32.02 71.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.821 0.343 . . . . 0.0 110.494 174.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 83.1 t90 -69.49 -37.66 77.32 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.697 178.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 581' ' ' LEU . . . . . 0.793 HD23 ' HB3' ' A' ' 542' ' ' LEU . 33.7 mt -59.58 -43.89 93.5 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.459 177.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -67.61 -33.82 75.75 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.322 178.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -82.33 -32.49 29.36 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.461 -0.79 . . . . 0.0 112.356 -175.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . 0.406 HD21 ' N ' ' A' ' 584' ' ' ASN . 0.9 OUTLIER -114.89 49.42 1.05 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.102 0.477 . . . . 0.0 110.22 -179.898 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.34 -21.43 65.29 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.341 0.591 . . . . 0.0 111.059 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . 0.434 ' N ' HD21 ' A' ' 586' ' ' LEU . 1.0 OUTLIER -96.62 5.9 49.79 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.044 -174.514 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . 0.458 ' HB3' ' HB2' ' A' ' 591' ' ' GLU . . . -67.55 157.06 35.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.107 0.48 . . . . 0.0 111.218 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -85.03 170.15 13.26 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.739 173.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 590' ' ' ASP . 18.6 pttp -57.12 -45.12 83.75 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -172.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 590' ' ' ASP . . . . . 0.556 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 2.9 m-20 -58.11 -31.54 67.24 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -177.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . 0.458 ' HB2' ' HB3' ' A' ' 587' ' ' ALA . 30.3 mm-40 -62.14 -47.93 82.36 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 177.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 592' ' ' PHE . . . . . 0.717 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 75.8 m-85 -66.96 -40.13 87.42 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 115.157 -0.928 . . . . 0.0 109.888 176.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . 0.556 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 33.2 mt-10 -59.0 -38.73 79.87 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.32 -177.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -69.37 -41.71 76.15 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.751 0.31 . . . . 0.0 110.409 175.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 595' ' ' LYS . 13.4 tppt? -60.31 -36.34 77.68 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.526 176.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 596' ' ' ARG . . . . . 0.517 ' HB2' HD23 ' A' ' 542' ' ' LEU . 30.5 ttp180 -60.34 -41.77 94.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.722 178.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . 0.674 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 31.0 mmtp -61.27 -45.2 95.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.184 175.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -60.04 -54.53 44.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.495 0.664 . . . . 0.0 111.147 -178.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.645 ' O ' HG11 ' A' ' 602' ' ' VAL . 2.6 tm? -58.49 -42.15 86.93 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.228 -0.897 . . . . 0.0 109.568 178.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . 0.515 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 35.6 tt0 -56.45 -43.08 79.17 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.811 177.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 601' ' ' GLN . . . . . 0.674 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 24.1 mt-30 -67.47 -29.54 69.01 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 -178.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . 0.645 HG11 ' O ' ' A' ' 599' ' ' LEU . 1.6 p -75.74 -39.77 39.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.748 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 603' ' ' CYS . . . . . 0.598 ' HA ' HD11 ' A' ' 606' ' ' ILE . 9.5 p -83.41 -27.75 29.36 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.779 -178.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 604' ' ' ASN . . . . . 0.619 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 33.4 t30 -49.97 -54.43 32.82 Favored Pre-proline 0 CA--C 1.537 0.477 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -175.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 605' ' ' PRO . . . . . 0.619 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 52.7 Cg_exo -60.24 -26.84 83.6 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 122.107 1.871 . . . . 0.0 112.461 -179.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 606' ' ' ILE . . . . . 0.689 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -83.68 -40.64 16.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.692 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 607' ' ' ILE . . . . . 0.579 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.4 mp -65.0 -30.58 50.79 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.595 178.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 45.7 m -59.69 -23.22 62.95 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.598 177.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -110.27 7.52 30.65 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.241 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 610' ' ' LEU . . . . . 0.631 HD21 ' HB ' ' A' ' 562' ' ' ILE . 73.8 mt . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.583 -0.722 . . . . 0.0 110.453 -178.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 56.9 m . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 120.669 0.271 . . . . 0.0 111.503 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.854 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . -65.92 -26.42 67.59 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.651 -0.25 . . . . 0.0 110.886 179.222 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . 0.747 ' HZ2' ' HB3' ' A' ' 581' ' ' LEU . 2.3 tmtm? -60.88 -48.8 80.15 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.08 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -62.83 -47.22 84.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.797 -177.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -60.17 -43.04 96.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.781 178.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.666 HD13 HD23 ' A' ' 581' ' ' LEU . 2.5 tm? -66.14 -47.82 72.81 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.289 -176.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . 0.952 ' HG3' HD12 ' A' ' 581' ' ' LEU . 7.2 tt0 -65.17 -47.83 75.63 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 120.865 0.364 . . . . 0.0 110.34 -177.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 16.3 m -59.68 -32.7 70.73 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.381 178.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . 0.503 ' CD1' HD13 ' A' ' 599' ' ' LEU . 3.2 t80 -66.13 -49.33 67.85 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 178.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.98 -41.11 91.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.201 0.524 . . . . 0.0 110.159 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.48 ' CD1' HD13 ' A' ' 578' ' ' ILE . 3.3 m-85 -57.33 -43.99 83.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.624 173.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 50.8 m-20 -59.66 -49.83 76.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.702 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 549' ' ' MET . . . . . 0.491 ' HE3' ' HA ' ' A' ' 549' ' ' MET . 22.0 mmt -66.68 -43.47 84.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.22 0.533 . . . . 0.0 110.612 -178.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . 0.654 ' HG3' HD22 ' A' ' 571' ' ' LEU . 6.7 ttmm -58.6 -47.72 83.37 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.91 176.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 14.1 t -66.16 -36.12 82.27 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.151 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -63.84 -45.94 87.27 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -177.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 553' ' ' VAL . . . . . 0.694 HG13 HG13 ' A' ' 570' ' ' VAL . 34.5 m -76.71 -34.85 24.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.312 0.577 . . . . 0.0 111.212 -178.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 554' ' ' GLU . . . . . 0.587 ' HG2' HD12 ' A' ' 571' ' ' LEU . 1.1 mm-40 -86.95 3.62 45.0 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.381 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 555' ' ' ASP . . . . . 0.623 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 24.2 t70 -64.03 142.08 58.54 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.148 179.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 556' ' ' GLU . . . . . 0.91 ' HA ' ' HE3' ' A' ' 559' ' ' LYS . 35.8 mt-10 -69.4 -18.43 63.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.265 -176.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -97.66 -33.12 5.97 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.386 -0.911 . . . . 0.0 111.02 178.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . 0.682 ' HA ' ' HG3' ' A' ' 561' ' ' LYS . 32.3 mt -86.15 -6.36 59.01 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . 0.91 ' HE3' ' HA ' ' A' ' 556' ' ' GLU . 19.6 ptpt -67.07 109.5 3.04 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.227 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 111.71 -22.65 18.97 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.504 -173.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . 0.682 ' HG3' ' HA ' ' A' ' 558' ' ' LEU . 50.6 mmtt -76.72 -36.55 57.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.398 0.618 . . . . 0.0 109.496 176.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . 0.744 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.5 tt -105.68 156.68 6.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.57 178.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 563' ' ' SER . . . . . 0.441 ' N ' HG12 ' A' ' 562' ' ' ILE . 21.2 m -78.24 149.1 33.67 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.179 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -45.25 69.87 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -175.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.95 98.45 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.221 -178.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 566' ' ' ASP . . . . . 0.578 ' HB3' ' HB ' ' A' ' 606' ' ' ILE . 13.8 m-20 -66.21 -45.01 82.25 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.476 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 71.2 tttt -54.68 -47.98 72.96 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.606 174.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -64.69 -49.15 72.07 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.08 -178.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 569' ' ' LYS . . . . . 0.545 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 12.5 ptmt -59.2 -45.18 91.74 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 120.797 0.332 . . . . 0.0 110.567 -174.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 570' ' ' VAL . . . . . 0.694 HG13 HG13 ' A' ' 553' ' ' VAL . 12.6 p -69.93 -42.78 79.79 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.901 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.839 -178.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . 0.654 HD22 ' HG3' ' A' ' 550' ' ' LYS . 37.6 mt -59.86 -46.73 88.38 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.848 0.356 . . . . 0.0 110.481 178.132 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 572' ' ' ASP . . . . . 0.566 ' O ' ' HG3' ' A' ' 576' ' ' GLU . 33.9 t70 -61.47 -48.66 80.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.373 -178.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 573' ' ' LYS . . . . . 0.647 ' O ' HG12 ' A' ' 577' ' ' VAL . 46.1 tptt -63.07 -41.37 99.41 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.728 178.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 574' ' ' CYS . . . . . 0.417 ' SG ' HD23 ' A' ' 599' ' ' LEU . 92.3 m -62.98 -38.91 93.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.94 0.4 . . . . 0.0 110.699 178.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . 0.439 ' HG2' ' HE3' ' A' ' 550' ' ' LYS . 2.1 mm-40 -66.35 -41.72 89.13 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.873 176.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 576' ' ' GLU . . . . . 0.566 ' HG3' ' O ' ' A' ' 572' ' ' ASP . 61.2 mt-10 -59.75 -50.64 73.02 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 123.448 0.468 . . . . 0.0 110.695 178.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 577' ' ' VAL . . . . . 0.663 HG22 ' HG2' ' A' ' 595' ' ' LYS . 2.4 p -66.59 -37.86 80.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.427 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 578' ' ' ILE . . . . . 0.491 ' HA ' HD13 ' A' ' 581' ' ' LEU . 13.3 mt -65.47 -39.58 85.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 122.249 -0.282 . . . . 0.0 111.272 178.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 24.7 p -71.6 -26.46 62.6 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 121.185 0.517 . . . . 0.0 110.446 174.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 580' ' ' TRP . . . . . 0.522 ' CE2' ' HE2' ' A' ' 595' ' ' LYS . 63.9 t90 -68.42 -40.83 81.09 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 175.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 581' ' ' LEU . . . . . 0.952 HD12 ' HG3' ' A' ' 543' ' ' GLU . 15.3 mt -60.59 -49.28 78.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.817 -1.083 . . . . 0.0 112.013 179.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -61.0 -21.51 63.64 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.493 0.663 . . . . 0.0 110.485 178.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -94.66 -3.77 48.84 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.902 -177.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . 0.808 ' ND2' ' HA ' ' A' ' 581' ' ' LEU . 0.1 OUTLIER -144.58 51.06 1.27 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.672 0.748 . . . . 0.0 111.549 -176.222 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 585' ' ' THR . . . . . 0.407 ' OG1' HD22 ' A' ' 586' ' ' LEU . 15.3 p -62.97 -15.25 55.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.812 -0.555 . . . . 0.0 111.652 -177.209 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . 0.407 HD22 ' OG1' ' A' ' 585' ' ' THR . 1.6 mm? -113.74 7.41 17.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.393 -178.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . 0.413 ' HB1' ' O ' ' A' ' 584' ' ' ASN . . . -49.69 153.39 1.23 Allowed 'General case' 0 C--O 1.236 0.346 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -177.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -58.21 144.78 39.61 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 172.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 28.5 pttt -61.77 -36.0 79.77 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.006 -175.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 590' ' ' ASP . . . . . 0.412 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 2.8 m-20 -62.97 -24.94 68.13 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.468 176.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . 0.527 ' HA ' ' OE1' ' A' ' 591' ' ' GLU . 0.5 OUTLIER -65.16 -44.45 88.49 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 120.319 -0.552 . . . . 0.0 110.456 177.925 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 592' ' ' PHE . . . . . 0.854 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 65.9 m-85 -66.47 -32.5 73.91 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.555 177.199 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . 0.544 ' O ' ' HG2' ' A' ' 597' ' ' LYS . 50.1 mm-40 -66.28 -48.92 68.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.893 176.17 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . 0.441 ' O ' ' HG3' ' A' ' 598' ' ' GLU . 24.6 m170 -63.54 -47.62 80.86 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 121.134 0.492 . . . . 0.0 109.824 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . 0.664 ' HB2' ' HZ2' ' A' ' 595' ' ' LYS . 0.2 OUTLIER -61.29 -34.43 75.2 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.198 -177.579 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 596' ' ' ARG . . . . . 0.481 ' HB2' ' O ' ' A' ' 592' ' ' PHE . 10.5 ttm180 -62.43 -39.97 95.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.688 177.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . 0.582 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 22.0 mmtp -66.5 -40.82 89.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.769 177.203 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 594' ' ' HIS . 51.0 mt-10 -60.36 -55.16 37.0 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.889 0.852 . . . . 0.0 110.843 177.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.621 ' O ' HG11 ' A' ' 602' ' ' VAL . 2.5 tm? -58.26 -41.62 84.69 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.573 -1.194 . . . . 0.0 109.384 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . 0.607 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 27.3 tt0 -58.2 -41.17 83.39 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.083 178.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 601' ' ' GLN . . . . . 0.582 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 85.9 mt-30 -69.31 -27.56 65.49 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -179.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . 0.642 HG12 ' HG2' ' A' ' 573' ' ' LYS . 1.3 p -75.06 -39.02 43.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 C-N-CA 120.164 -0.614 . . . . 0.0 110.353 177.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 603' ' ' CYS . . . . . 0.66 ' HB2' HD13 ' A' ' 607' ' ' ILE . 25.0 p -82.57 -25.97 32.81 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.3 -178.527 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 604' ' ' ASN . . . . . 0.621 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 49.7 t30 -50.27 -54.47 33.81 Favored Pre-proline 0 CA--C 1.539 0.536 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -174.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 605' ' ' PRO . . . . . 0.621 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 45.9 Cg_exo -61.23 -21.71 72.51 Favored 'Trans proline' 0 C--N 1.359 1.121 0 C-N-CA 122.043 1.829 . . . . 0.0 112.361 -178.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 606' ' ' ILE . . . . . 0.744 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -90.0 -39.68 12.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.103 -178.561 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 607' ' ' ILE . . . . . 0.66 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.2 mp -64.59 -24.55 35.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.283 -178.319 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 16.6 m -55.67 -28.47 55.68 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.796 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -118.14 23.24 9.33 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.514 -0.85 . . . . 0.0 112.741 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 610' ' ' LEU . . . . . 0.678 HD21 ' HB ' ' A' ' 562' ' ' ILE . 50.0 mt . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.515 -0.755 . . . . 0.0 110.458 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 28.2 m . . . . . 0 N--CA 1.478 0.926 0 CA-C-O 120.769 0.318 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.749 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . -60.25 -42.39 95.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.906 -175.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . 0.566 ' HE2' ' HB3' ' A' ' 581' ' ' LEU . 13.3 tmtt? -61.06 -46.93 88.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.116 0.484 . . . . 0.0 110.154 178.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -63.72 -45.47 89.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.635 -179.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -63.16 -42.51 99.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.83 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.751 HD13 HG22 ' A' ' 577' ' ' VAL . 0.5 OUTLIER -61.92 -47.23 85.85 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.456 -178.478 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . 0.678 ' HG3' HD12 ' A' ' 581' ' ' LEU . 3.3 tt0 -63.22 -49.17 75.24 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.189 -179.339 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 42.9 m -62.74 -33.1 74.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.042 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . 0.592 ' CD1' HD13 ' A' ' 599' ' ' LEU . 3.0 t80 -67.77 -49.76 60.76 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 178.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -66.1 -43.27 87.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.603 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.432 ' CD1' HD13 ' A' ' 578' ' ' ILE . 2.6 m-85 -57.29 -41.12 79.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.572 175.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -63.69 -49.48 72.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.572 -178.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 549' ' ' MET . . . . . 0.459 ' HE3' ' HA ' ' A' ' 549' ' ' MET . 18.3 mmt -65.49 -43.66 89.53 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.343 0.592 . . . . 0.0 110.211 -178.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . 0.572 ' HG3' HD22 ' A' ' 571' ' ' LEU . 3.5 ttmm -57.88 -47.62 82.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.167 177.294 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 21.7 t -66.37 -37.33 85.05 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.9 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -63.27 -45.91 89.3 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -177.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 553' ' ' VAL . . . . . 0.709 HG13 HG13 ' A' ' 570' ' ' VAL . 34.4 m -76.69 -35.19 24.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.307 0.575 . . . . 0.0 111.308 -178.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 554' ' ' GLU . . . . . 0.597 ' HA ' ' HE3' ' A' ' 567' ' ' LYS . 0.2 OUTLIER -85.63 3.32 41.39 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.844 -179.723 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 555' ' ' ASP . . . . . 0.629 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 17.0 t70 -69.74 133.43 47.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.018 176.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 556' ' ' GLU . . . . . 0.907 ' HA ' ' HE3' ' A' ' 559' ' ' LYS . 40.9 mt-10 -70.51 -9.5 56.8 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.493 -175.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -100.52 -32.72 5.35 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.558 -0.829 . . . . 0.0 111.188 176.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . 0.978 HD22 ' HD2' ' A' ' 561' ' ' LYS . 4.1 mt -83.23 -15.27 51.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.497 -0.351 . . . . 0.0 111.664 179.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . 0.907 ' HE3' ' HA ' ' A' ' 556' ' ' GLU . 19.4 ptpt -61.06 128.32 35.85 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 172.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 103.29 -31.36 8.81 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.406 -0.902 . . . . 0.0 111.334 -173.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . 0.978 ' HD2' HD22 ' A' ' 558' ' ' LEU . 84.3 mttt -74.49 -36.09 63.26 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 173.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . 0.809 ' HB ' HD21 ' A' ' 610' ' ' LEU . 5.6 tt -107.76 153.68 9.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.226 175.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 20.0 m -82.36 149.92 27.45 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 176.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -54.53 -43.74 72.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.516 0.198 . . . . 0.0 111.202 -175.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -57.62 -43.31 84.68 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.588 -178.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 566' ' ' ASP . . . . . 0.53 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 14.1 m-20 -67.4 -46.13 74.15 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.128 0.489 . . . . 0.0 109.846 178.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.606 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 77.0 tttt -54.84 -48.01 73.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.852 175.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . 0.546 ' HZ2' ' HB3' ' A' ' 568' ' ' LYS . 9.8 mtpm? -65.18 -44.8 87.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.762 -178.025 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 569' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 4.8 ptmt -65.72 -43.18 89.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.361 -175.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 570' ' ' VAL . . . . . 0.709 HG13 HG13 ' A' ' 553' ' ' VAL . 12.1 p -69.85 -39.88 78.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.131 -179.291 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . 0.572 HD22 ' HG3' ' A' ' 550' ' ' LYS . 32.7 mt -61.24 -47.31 86.66 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.832 0.348 . . . . 0.0 110.661 178.008 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -63.07 -42.84 99.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.929 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 573' ' ' LYS . . . . . 0.655 ' CG ' HG12 ' A' ' 602' ' ' VAL . 50.7 tptt -66.07 -42.43 89.42 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.955 177.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 574' ' ' CYS . . . . . 0.478 ' HG ' HG22 ' A' ' 570' ' ' VAL . 94.9 m -61.14 -38.83 87.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.161 0.505 . . . . 0.0 110.376 176.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.49 -36.36 82.55 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.808 176.232 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.39 -56.89 16.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.339 177.129 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 577' ' ' VAL . . . . . 0.751 HG22 HD13 ' A' ' 542' ' ' LEU . 1.4 p -65.27 -41.18 90.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.5 -178.578 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 578' ' ' ILE . . . . . 0.686 ' HA ' HD13 ' A' ' 581' ' ' LEU . 17.5 mt -61.13 -44.1 97.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.65 0.262 . . . . 0.0 111.357 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 20.3 m -68.7 -31.3 70.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.066 0.46 . . . . 0.0 110.131 176.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 580' ' ' TRP . . . . . 0.601 ' CZ2' ' HG3' ' A' ' 591' ' ' GLU . 67.8 t90 -72.18 -36.49 69.27 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.96 179.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 581' ' ' LEU . . . . . 0.737 HD23 ' HB3' ' A' ' 542' ' ' LEU . 35.9 mt -58.5 -44.16 89.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.718 0.77 . . . . 0.0 110.339 176.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -71.61 -21.33 61.86 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.829 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -96.45 -32.95 12.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 112.124 -176.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . 0.498 ' O ' ' HB1' ' A' ' 587' ' ' ALA . 3.1 m-20 -118.68 47.47 1.63 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.326 0.584 . . . . 0.0 109.528 178.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 585' ' ' THR . . . . . 0.523 HG21 ' HE3' ' A' ' 539' ' ' LYS . 0.2 OUTLIER -61.74 -20.67 63.78 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.204 179.015 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -98.7 6.8 46.73 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.786 -177.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . 0.498 ' HB1' ' O ' ' A' ' 584' ' ' ASN . . . -56.9 158.57 4.72 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.997 177.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -76.33 160.75 29.32 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.767 177.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . 0.456 ' HZ1' ' HB2' ' A' ' 589' ' ' LYS . 0.1 OUTLIER -57.29 -44.24 83.89 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.921 0.391 . . . . 0.0 111.344 -175.303 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 590' ' ' ASP . . . . . 0.428 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 5.9 p-10 -64.78 -24.98 67.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.791 179.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . 0.601 ' HG3' ' CZ2' ' A' ' 580' ' ' TRP . 5.8 tp10 -62.79 -49.33 75.37 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 176.092 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 592' ' ' PHE . . . . . 0.749 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 94.5 m-85 -63.99 -40.82 97.22 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.088 177.219 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . 0.552 ' O ' ' HG2' ' A' ' 597' ' ' LYS . 5.9 mm-40 -59.65 -38.5 81.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.4 -178.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -65.88 -38.36 88.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.876 0.37 . . . . 0.0 110.308 174.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . 0.456 ' HD3' ' HA ' ' A' ' 595' ' ' LYS . 5.7 tppt? -66.6 -36.43 82.59 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.119 178.104 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 596' ' ' ARG . . . . . 0.571 ' HB2' HD23 ' A' ' 542' ' ' LEU . 41.1 ttp85 -60.49 -37.32 80.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.596 177.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . 0.596 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 28.7 mmtp -69.51 -43.65 72.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.356 176.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -59.73 -53.11 61.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.213 0.53 . . . . 0.0 111.325 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.692 ' O ' HG11 ' A' ' 602' ' ' VAL . 2.2 tm? -59.94 -42.34 93.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.374 -179.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . 0.565 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 38.4 tt0 -57.47 -45.91 84.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.082 176.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 601' ' ' GLN . . . . . 0.596 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 77.7 mt-30 -63.7 -29.39 70.62 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . 0.692 HG11 ' O ' ' A' ' 599' ' ' LEU . 1.4 p -76.33 -39.6 34.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.521 178.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 603' ' ' CYS . . . . . 0.652 ' HB2' HD13 ' A' ' 607' ' ' ILE . 25.4 p -83.31 -26.73 30.34 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.657 -177.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 604' ' ' ASN . . . . . 0.582 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 18.7 t30 -49.68 -53.52 40.76 Favored Pre-proline 0 CA--C 1.541 0.61 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -176.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 605' ' ' PRO . . . . . 0.582 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 53.1 Cg_exo -59.49 -24.7 75.97 Favored 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 122.085 1.856 . . . . 0.0 112.035 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 606' ' ' ILE . . . . . 0.693 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -89.74 -40.62 13.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.119 -177.753 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 607' ' ' ILE . . . . . 0.652 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -67.19 -29.83 47.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.483 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 50.1 m -62.94 -23.48 67.41 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.858 176.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -101.81 -9.19 43.72 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.911 -0.661 . . . . 0.0 111.984 177.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 610' ' ' LEU . . . . . 0.809 HD21 ' HB ' ' A' ' 562' ' ' ILE . 78.9 mt . . . . . 0 C--O 1.246 0.871 0 CA-C-O 118.477 -0.773 . . . . 0.0 110.216 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 4.3 p . . . . . 0 N--CA 1.476 0.847 0 CA-C-O 121.078 0.466 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.493 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . -70.84 -27.97 64.24 Favored 'General case' 0 C--O 1.226 -0.144 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.006 -178.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -66.18 -45.44 80.85 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 177.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -64.47 -46.72 81.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.17 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -58.0 -48.79 78.95 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.994 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.688 ' HB3' HD23 ' A' ' 581' ' ' LEU . 0.5 OUTLIER -61.28 -47.56 85.44 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.641 -177.698 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . 0.669 ' HG3' HD12 ' A' ' 581' ' ' LEU . 8.9 tt0 -68.33 -45.93 71.58 Favored 'General case' 0 N--CA 1.439 -1.017 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.475 -176.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 18.9 t -65.54 -36.96 85.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.122 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . 0.576 ' CD1' HD13 ' A' ' 599' ' ' LEU . 1.4 t80 -61.76 -49.45 76.35 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 176.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.74 -40.42 92.12 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.639 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.417 ' CD1' HD13 ' A' ' 578' ' ' ILE . 3.7 m-85 -59.11 -44.39 91.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.206 173.553 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 61.8 m-20 -61.7 -47.32 85.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.886 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 549' ' ' MET . . . . . 0.559 ' HE3' ' HA ' ' A' ' 549' ' ' MET . 28.1 mmt -64.77 -43.77 92.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.373 0.606 . . . . 0.0 110.403 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . 0.73 ' HG3' HD22 ' A' ' 571' ' ' LEU . 4.7 ttmm -59.64 -45.53 91.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.935 -1.03 . . . . 0.0 110.844 176.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 58.0 m -66.81 -34.98 79.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.684 177.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -65.74 -45.82 81.19 Favored 'General case' 0 C--O 1.224 -0.289 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -176.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 553' ' ' VAL . . . . . 0.925 HG11 HG13 ' A' ' 570' ' ' VAL . 26.4 m -75.03 -34.61 32.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.618 0.723 . . . . 0.0 111.186 -179.15 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 554' ' ' GLU . . . . . 0.506 ' HB2' ' O ' ' A' ' 550' ' ' LYS . 1.6 mm-40 -86.54 3.53 43.82 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.363 178.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 555' ' ' ASP . . . . . 0.439 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 28.8 t70 -68.53 141.87 55.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.772 178.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -69.77 -12.93 62.01 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -176.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . 0.518 ' O ' ' HE3' ' A' ' 561' ' ' LYS . . . -100.91 -28.23 7.04 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.505 -0.855 . . . . 0.0 111.686 178.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . 0.963 HD22 ' HD2' ' A' ' 561' ' ' LYS . 10.4 mt -98.27 -6.09 31.77 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 111.609 0.226 . . . . 0.0 111.609 -179.037 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -56.92 -37.53 71.6 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -177.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . -93.81 -6.61 62.0 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.034 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . 0.963 ' HD2' HD22 ' A' ' 558' ' ' LEU . 85.1 mttt -81.92 -34.6 29.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.108 0.48 . . . . 0.0 110.529 -178.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . 0.841 ' HB ' HD21 ' A' ' 610' ' ' LEU . 5.5 tt -106.92 153.57 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.604 -177.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 563' ' ' SER . . . . . 0.445 ' HB3' ' OD2' ' A' ' 566' ' ' ASP . 32.9 t -82.17 155.13 25.13 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.169 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . 0.407 ' HB3' ' HE3' ' A' ' 568' ' ' LYS . 29.9 mt-10 -54.88 -48.16 73.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.611 0.243 . . . . 0.0 111.065 -175.121 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -57.74 -42.54 84.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.246 -176.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 566' ' ' ASP . . . . . 0.482 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 21.5 m-20 -67.22 -49.73 63.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.33 0.586 . . . . 0.0 109.78 179.193 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.585 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 81.2 tttt -53.93 -47.78 70.87 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.758 -1.11 . . . . 0.0 111.228 176.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . 0.407 ' HE3' ' HB3' ' A' ' 564' ' ' GLU . 94.9 mttt -63.46 -47.18 82.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.577 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 569' ' ' LYS . . . . . 0.574 ' HZ2' ' HB2' ' A' ' 569' ' ' LYS . 0.0 OUTLIER -64.28 -41.76 96.74 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.3 -173.475 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 570' ' ' VAL . . . . . 0.925 HG13 HG11 ' A' ' 553' ' ' VAL . 12.6 p -70.95 -42.15 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.307 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . 0.73 HD22 ' HG3' ' A' ' 550' ' ' LYS . 20.0 mt -59.01 -49.43 77.91 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.266 0.555 . . . . 0.0 110.228 177.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -61.31 -45.1 95.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.329 -178.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 573' ' ' LYS . . . . . 0.645 ' CG ' HG12 ' A' ' 602' ' ' VAL . 47.5 tptt -64.75 -42.23 95.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.851 177.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 574' ' ' CYS . . . . . 0.478 ' HG ' HG22 ' A' ' 570' ' ' VAL . 99.2 m -59.86 -38.53 82.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.567 177.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -66.78 -38.74 87.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.116 177.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -59.32 -53.89 53.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.792 0.33 . . . . 0.0 110.917 178.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 577' ' ' VAL . . . . . 0.581 ' O ' ' HG ' ' A' ' 581' ' ' LEU . 1.5 p -64.05 -40.66 89.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.996 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 578' ' ' ILE . . . . . 0.441 ' HA ' HD13 ' A' ' 581' ' ' LEU . 19.7 mt -62.74 -43.92 99.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-O 120.772 0.32 . . . . 0.0 111.692 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 15.8 t -69.56 -25.1 63.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.157 0.503 . . . . 0.0 110.204 176.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 85.3 t90 -75.05 -37.05 61.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.817 -0.628 . . . . 0.0 109.668 176.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 581' ' ' LEU . . . . . 0.689 ' HA ' ' ND2' ' A' ' 584' ' ' ASN . 37.4 mt -61.18 -42.19 98.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.366 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -63.91 -33.97 76.91 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.349 0.595 . . . . 0.0 109.885 175.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -81.07 -33.7 33.23 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.263 -0.881 . . . . 0.0 112.452 -173.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . 0.689 ' ND2' ' HA ' ' A' ' 581' ' ' LEU . 0.1 OUTLIER -98.28 43.65 1.06 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.435 0.636 . . . . 0.0 111.177 -176.343 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.67 -12.1 14.72 Favored 'General case' 0 C--N 1.315 -0.898 0 O-C-N 122.011 -0.43 . . . . 0.0 111.976 -174.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -109.6 5.65 23.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.368 -179.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -66.61 155.96 36.42 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.369 0.604 . . . . 0.0 110.967 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -99.47 176.17 5.59 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.985 175.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -55.51 -45.18 77.11 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -169.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 590' ' ' ASP . . . . . 0.642 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 10.1 p-10 -66.39 -24.96 66.57 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -175.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -63.93 -48.98 74.42 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.215 0.531 . . . . 0.0 109.727 172.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 592' ' ' PHE . . . . . 0.567 ' O ' HD23 ' A' ' 542' ' ' LEU . 88.2 m-85 -64.23 -41.84 96.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.748 176.348 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . 0.642 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 38.2 mm-40 -59.38 -42.79 92.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.294 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -59.53 -43.43 93.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.046 0.451 . . . . 0.0 110.283 174.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . 0.719 ' HE2' ' OE1' ' A' ' 598' ' ' GLU . 0.1 OUTLIER -68.76 -36.56 78.5 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.241 -176.437 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 596' ' ' ARG . . . . . 0.68 ' HB2' HD23 ' A' ' 542' ' ' LEU . 49.8 ttp85 -57.25 -44.82 84.21 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.33 177.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . 0.66 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 22.6 mmmt -60.19 -43.42 95.92 Favored 'General case' 0 CA--C 1.523 -0.089 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.906 178.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . 0.719 ' OE1' ' HE2' ' A' ' 595' ' ' LYS . 51.8 mt-10 -59.31 -55.62 32.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.867 179.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.649 ' O ' HG11 ' A' ' 602' ' ' VAL . 2.0 tm? -59.26 -42.51 91.31 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.788 -1.096 . . . . 0.0 109.714 -177.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . 0.582 ' HG3' ' O ' ' A' ' 596' ' ' ARG . 44.2 mt-10 -56.14 -45.27 79.65 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 116.775 -0.193 . . . . 0.0 110.509 175.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 601' ' ' GLN . . . . . 0.66 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 50.2 mt-30 -65.8 -29.48 69.97 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -177.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . 0.649 HG11 ' O ' ' A' ' 599' ' ' LEU . 1.7 p -76.01 -39.14 36.55 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.574 178.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 603' ' ' CYS . . . . . 0.683 ' HB2' HD13 ' A' ' 607' ' ' ILE . 22.1 p -82.53 -26.51 32.41 Favored 'General case' 0 C--O 1.219 -0.515 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.454 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 604' ' ' ASN . . . . . 0.594 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 26.7 t30 -50.11 -54.06 37.27 Favored Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -176.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 605' ' ' PRO . . . . . 0.594 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 44.2 Cg_exo -60.75 -22.31 72.89 Favored 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 122.301 2.001 . . . . 0.0 112.365 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 606' ' ' ILE . . . . . 0.742 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -91.19 -40.35 12.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.14 -178.688 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 607' ' ' ILE . . . . . 0.683 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.2 mp -65.65 -30.01 48.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.178 -178.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 6.7 p -66.67 -16.89 64.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.815 0.34 . . . . 0.0 111.025 177.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -113.53 11.14 23.7 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.21 178.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 610' ' ' LEU . . . . . 0.841 HD21 ' HB ' ' A' ' 562' ' ' ILE . 48.1 mt . . . . . 0 C--O 1.251 1.151 0 CA-C-O 118.621 -0.704 . . . . 0.0 110.605 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 27.5 m . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 120.67 0.272 . . . . 0.0 110.622 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.658 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . -60.73 -38.77 86.25 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.117 -179.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . 0.644 ' HZ1' ' HB3' ' A' ' 581' ' ' LEU . 3.7 tmtm? -56.5 -47.54 79.06 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -65.61 -47.55 75.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.261 -177.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 541' ' ' ALA . . . . . 0.453 ' O ' ' HB2' ' A' ' 545' ' ' TYR . . . -64.57 -40.7 96.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.986 0.422 . . . . 0.0 110.587 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.756 HD13 HD23 ' A' ' 581' ' ' LEU . 2.8 tm? -65.37 -48.16 73.89 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.398 -177.25 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . 0.85 ' HG3' HD12 ' A' ' 581' ' ' LEU . 21.5 tt0 -68.86 -47.86 64.88 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 120.577 0.227 . . . . 0.0 110.795 -176.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 544' ' ' SER . . . . . 0.484 ' O ' ' HB2' ' A' ' 548' ' ' ASN . 21.5 m -62.73 -29.39 70.64 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.284 178.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . 0.522 ' CD1' HD13 ' A' ' 599' ' ' LEU . 2.4 t80 -61.76 -49.7 75.36 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.371 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -66.09 -43.06 88.39 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.363 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.486 ' CD1' HD13 ' A' ' 578' ' ' ILE . 3.9 m-85 -56.64 -39.09 73.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.81 175.185 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 548' ' ' ASN . . . . . 0.484 ' HB2' ' O ' ' A' ' 544' ' ' SER . 2.5 t-20 -67.41 -49.05 65.47 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.094 -175.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 549' ' ' MET . . . . . 0.438 ' HE3' ' HA ' ' A' ' 549' ' ' MET . 22.1 mmt -65.51 -42.84 91.63 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.431 0.634 . . . . 0.0 109.974 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . 0.558 ' HG3' HD22 ' A' ' 571' ' ' LEU . 2.3 ttmm -58.35 -46.54 86.06 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.816 -1.084 . . . . 0.0 111.062 176.179 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 20.0 t -65.83 -36.18 82.75 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.031 178.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -64.17 -45.94 86.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.733 -177.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 553' ' ' VAL . . . . . 0.644 HG13 HG13 ' A' ' 570' ' ' VAL . 34.1 m -76.88 -35.27 23.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.147 0.499 . . . . 0.0 111.449 -178.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 554' ' ' GLU . . . . . 0.562 ' HG2' HD12 ' A' ' 571' ' ' LEU . 0.9 OUTLIER -85.64 3.98 38.45 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.05 179.626 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 555' ' ' ASP . . . . . 0.585 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 13.0 t70 -64.67 136.05 56.56 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 172.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 556' ' ' GLU . . . . . 0.682 ' HA ' ' HE3' ' A' ' 559' ' ' LYS . 1.8 pm0 -69.57 -12.0 61.29 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -172.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -101.49 -35.26 4.16 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 119.977 -1.106 . . . . 0.0 111.04 177.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . 0.766 ' HA ' ' HG3' ' A' ' 561' ' ' LYS . 29.3 mt -78.37 -17.19 56.83 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.534 -0.333 . . . . 0.0 111.479 179.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . 0.682 ' HE3' ' HA ' ' A' ' 556' ' ' GLU . 22.2 pttp -71.92 98.62 2.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.875 0.845 . . . . 0.0 109.533 173.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 127.93 -29.59 4.13 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 110.075 -1.21 . . . . 0.0 110.075 -170.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . 0.766 ' HG3' ' HA ' ' A' ' 558' ' ' LEU . 28.5 mmtm -73.99 -37.32 64.47 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 171.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . 0.758 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.5 tt -105.64 152.15 7.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 114.414 -1.267 . . . . 0.0 109.342 177.256 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 563' ' ' SER . . . . . 0.402 ' HB3' ' OD1' ' A' ' 566' ' ' ASP . 32.8 t -71.25 147.63 48.02 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 177.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -58.67 -35.63 72.88 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.249 -177.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -60.59 -43.33 97.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.564 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 566' ' ' ASP . . . . . 0.624 ' HB3' ' HB ' ' A' ' 606' ' ' ILE . 7.9 m-20 -70.0 -44.98 68.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.08 0.466 . . . . 0.0 109.958 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.579 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 52.7 tttm -54.67 -47.87 73.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.958 174.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -65.6 -49.13 69.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.862 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 569' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 18.5 ptmt -61.62 -43.3 99.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.395 -174.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 570' ' ' VAL . . . . . 0.644 HG13 HG13 ' A' ' 553' ' ' VAL . 11.6 p -70.73 -40.34 76.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.886 -179.093 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . 0.562 HD12 ' HG2' ' A' ' 554' ' ' GLU . 35.5 mt -60.68 -47.36 86.59 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.744 0.306 . . . . 0.0 110.431 177.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -59.57 -47.26 86.26 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.414 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 573' ' ' LYS . . . . . 0.668 ' CG ' HG12 ' A' ' 602' ' ' VAL . 49.6 tptt -64.62 -41.61 96.07 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.83 178.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 574' ' ' CYS . . . . . 0.498 ' HG ' HG22 ' A' ' 570' ' ' VAL . 97.5 m -61.34 -38.41 86.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.905 0.383 . . . . 0.0 110.452 177.573 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -66.8 -36.88 83.42 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.037 175.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.54 -55.28 37.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.954 0.406 . . . . 0.0 110.254 176.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 577' ' ' VAL . . . . . 0.649 HG12 ' O ' ' A' ' 573' ' ' LYS . 1.3 p -66.21 -41.85 89.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.741 -178.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 578' ' ' ILE . . . . . 0.528 ' HA ' HD13 ' A' ' 581' ' ' LEU . 21.0 mt -63.2 -40.19 88.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 111.525 0.194 . . . . 0.0 111.525 -179.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 56.3 m -70.38 -30.81 67.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 110.557 175.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 51.3 t90 -68.7 -37.81 79.82 Favored 'General case' 0 C--O 1.222 -0.385 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 581' ' ' LEU . . . . . 0.85 HD12 ' HG3' ' A' ' 543' ' ' GLU . 16.1 mt -59.53 -48.04 83.2 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.225 176.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -64.87 -34.22 77.86 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.455 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -82.03 -31.42 30.98 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.598 -178.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . 0.443 ' O ' ' HB1' ' A' ' 587' ' ' ALA . 5.2 m-20 -119.62 52.97 1.07 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.363 -176.58 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 1.3 p -67.28 -19.83 65.55 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.656 0.741 . . . . 0.0 110.773 173.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -90.13 5.18 47.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.752 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . 0.443 ' HB1' ' O ' ' A' ' 584' ' ' ASN . . . -67.16 151.48 47.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.333 177.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -86.62 171.29 11.11 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.018 177.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 52.7 pttt -54.8 -45.08 74.32 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -171.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 590' ' ' ASP . . . . . 0.439 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 3.2 m-20 -61.34 -29.4 69.87 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.329 -177.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . 0.524 ' HA ' ' OE1' ' A' ' 591' ' ' GLU . 2.9 mm-40 -64.4 -44.46 91.21 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 120.584 -0.447 . . . . 0.0 110.596 178.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 592' ' ' PHE . . . . . 0.658 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 78.9 m-85 -65.17 -38.94 92.15 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.399 176.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . 0.498 ' O ' ' HG2' ' A' ' 597' ' ' LYS . 21.0 mm-40 -60.44 -44.22 96.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.251 177.576 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -62.88 -48.1 80.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.042 0.449 . . . . 0.0 110.284 178.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . 0.489 ' HG2' HG22 ' A' ' 577' ' ' VAL . 12.0 tppt? -63.06 -34.53 77.79 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.428 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 596' ' ' ARG . . . . . 0.599 ' HB2' HD21 ' A' ' 542' ' ' LEU . 41.2 ttp85 -61.78 -36.85 82.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.313 178.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . 0.503 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 65.6 mmtt -64.87 -43.35 93.26 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.301 0.572 . . . . 0.0 109.647 175.189 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.36 -56.86 16.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.368 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.688 ' O ' HG11 ' A' ' 602' ' ' VAL . 2.5 tm? -58.94 -42.5 89.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.52 -177.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . 0.53 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 29.1 tt0 -57.58 -44.96 85.74 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.989 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 601' ' ' GLN . . . . . 0.503 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 48.9 mt-30 -68.73 -25.58 64.82 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . 0.688 HG11 ' O ' ' A' ' 599' ' ' LEU . 1.5 p -75.58 -39.64 40.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.366 177.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 603' ' ' CYS . . . . . 0.614 ' HB2' HD13 ' A' ' 607' ' ' ILE . 15.1 p -82.2 -26.53 33.25 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.304 -178.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 604' ' ' ASN . . . . . 0.52 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 6.7 t30 -50.05 -52.47 52.72 Favored Pre-proline 0 N--CA 1.473 0.675 0 N-CA-C 113.215 0.821 . . . . 0.0 113.215 -175.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 605' ' ' PRO . . . . . 0.52 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 52.0 Cg_exo -59.9 -31.42 93.73 Favored 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 122.018 1.812 . . . . 0.0 112.447 178.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 606' ' ' ILE . . . . . 0.758 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -81.35 -40.23 17.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.184 -177.668 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 607' ' ' ILE . . . . . 0.614 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -66.11 -28.76 44.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.077 177.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 47.9 t -63.39 -23.25 67.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.386 175.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -103.34 -1.09 47.42 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.117 178.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 610' ' ' LEU . . . . . 0.757 HD21 ' HB ' ' A' ' 562' ' ' ILE . 72.2 mt . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.453 -0.784 . . . . 0.0 110.554 -178.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 10.6 t . . . . . 0 N--CA 1.477 0.912 0 CA-C-O 120.953 0.406 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.492 ' O ' ' HB2' ' A' ' 542' ' ' LEU . . . -63.87 -17.1 62.84 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.491 -175.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . 0.673 ' HE3' HG22 ' A' ' 585' ' ' THR . 14.1 tmtt? -62.61 -39.66 94.46 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -68.23 -47.01 68.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.647 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -63.16 -42.53 99.44 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.72 178.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.517 ' HB3' HD23 ' A' ' 581' ' ' LEU . 0.3 OUTLIER -67.12 -47.3 71.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.179 -175.068 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . 0.692 ' HG3' HD12 ' A' ' 581' ' ' LEU . 12.9 tt0 -66.83 -40.99 88.18 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.112 -177.279 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 54.9 m -67.06 -31.46 71.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.561 176.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -67.59 -49.46 63.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.005 0.431 . . . . 0.0 109.879 177.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.22 -40.29 93.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.136 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -59.62 -39.04 82.96 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.691 174.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -64.98 -49.11 71.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.691 -178.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 549' ' ' MET . . . . . 0.486 ' HE3' ' HA ' ' A' ' 549' ' ' MET . 21.9 mmt -63.36 -43.19 98.39 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-O 121.301 0.572 . . . . 0.0 109.85 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . 0.591 ' HG3' HD22 ' A' ' 571' ' ' LEU . 4.4 ttmm -59.79 -47.62 84.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.037 176.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 13.0 t -66.15 -36.61 83.58 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -63.5 -45.97 88.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.55 -177.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 553' ' ' VAL . . . . . 0.676 HG13 HG13 ' A' ' 570' ' ' VAL . 35.5 m -76.56 -34.62 24.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.181 0.515 . . . . 0.0 111.326 -178.033 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 554' ' ' GLU . . . . . 0.5 ' HB2' ' O ' ' A' ' 550' ' ' LYS . 0.0 OUTLIER -85.24 3.9 37.26 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.178 179.62 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 555' ' ' ASP . . . . . 0.465 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 20.4 t70 -70.03 142.77 52.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.643 176.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -69.42 -17.75 63.68 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -174.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -98.02 -38.55 4.06 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 119.642 -1.266 . . . . 0.0 111.11 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . 0.98 HD22 ' HD2' ' A' ' 561' ' ' LYS . 16.3 mt -79.03 -12.64 60.03 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.482 -0.359 . . . . 0.0 111.772 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -65.77 -19.71 65.99 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.012 0.434 . . . . 0.0 111.049 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . -101.1 3.42 55.29 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.676 -0.774 . . . . 0.0 111.6 176.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . 0.98 ' HD2' HD22 ' A' ' 558' ' ' LEU . 79.5 mttt -104.48 -32.49 8.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.987 0.422 . . . . 0.0 110.838 -178.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . 0.769 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.9 tt -106.91 153.27 8.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.508 -179.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.53 153.86 37.21 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.769 179.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -55.46 -46.38 76.8 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 123.31 0.382 . . . . 0.0 110.194 -178.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -59.84 -43.3 94.66 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -177.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 566' ' ' ASP . . . . . 0.639 ' HB3' ' HB ' ' A' ' 606' ' ' ILE . 16.8 m-20 -67.61 -47.41 69.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.282 0.563 . . . . 0.0 109.776 -178.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.591 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 44.4 tttt -54.89 -47.32 74.44 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.373 174.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 30.7 tttp -58.63 -51.01 71.74 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.264 -0.88 . . . . 0.0 112.018 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 569' ' ' LYS . . . . . 0.509 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 0.0 OUTLIER -65.38 -43.92 89.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.801 -172.69 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 570' ' ' VAL . . . . . 0.676 HG13 HG13 ' A' ' 553' ' ' VAL . 12.8 p -70.3 -40.17 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.206 -176.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . 0.591 HD22 ' HG3' ' A' ' 550' ' ' LYS . 39.8 mt -60.18 -48.31 82.28 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 110.408 178.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 572' ' ' ASP . . . . . 0.466 ' O ' ' HG3' ' A' ' 576' ' ' GLU . 11.4 t70 -61.76 -47.25 86.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.202 -178.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 573' ' ' LYS . . . . . 0.837 ' HZ3' ' HB3' ' A' ' 598' ' ' GLU . 39.4 tptt -62.05 -41.82 98.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.551 177.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 83.6 m -62.35 -38.06 88.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.293 0.568 . . . . 0.0 109.721 178.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . 0.436 ' HG2' ' HE3' ' A' ' 550' ' ' LYS . 7.4 mm-40 -63.64 -40.66 97.44 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.494 175.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 576' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' A' ' 572' ' ' ASP . 49.0 mt-10 -58.02 -55.62 32.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.15 0.5 . . . . 0.0 110.262 178.404 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 577' ' ' VAL . . . . . 0.528 HG12 ' O ' ' A' ' 573' ' ' LYS . 1.9 p -67.12 -39.67 83.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.861 -179.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 578' ' ' ILE . . . . . . . . . . . . . 12.5 mt -61.88 -42.03 93.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 111.76 0.281 . . . . 0.0 111.76 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 24.6 p -69.75 -29.74 67.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.918 0.39 . . . . 0.0 110.174 177.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 59.2 t90 -70.74 -38.79 73.55 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.663 176.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 581' ' ' LEU . . . . . 0.692 HD12 ' HG3' ' A' ' 543' ' ' GLU . 47.1 mt -57.73 -46.59 84.24 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.936 178.29 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -68.4 -23.22 64.63 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.559 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -90.82 -30.67 16.85 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.433 -176.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -123.2 58.18 1.12 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.252 0.548 . . . . 0.0 111.021 -178.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 585' ' ' THR . . . . . 0.673 HG22 ' HE3' ' A' ' 539' ' ' LYS . 70.5 p -70.03 -17.95 63.28 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.577 0.703 . . . . 0.0 109.64 174.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -93.5 5.4 51.71 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 114.834 -1.076 . . . . 0.0 110.372 -176.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -66.54 151.97 46.2 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.207 177.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -78.63 165.16 23.98 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 176.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -55.33 -42.7 74.14 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -173.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 590' ' ' ASP . . . . . 0.432 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 4.7 p-10 -60.43 -28.33 68.19 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -176.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . 0.418 ' O ' ' HB2' ' A' ' 595' ' ' LYS . 3.4 mm-40 -62.8 -42.97 99.94 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 175.072 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 592' ' ' PHE . . . . . 0.429 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 75.8 m-85 -72.46 -38.53 68.23 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.029 179.088 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . 0.491 ' O ' ' HG2' ' A' ' 597' ' ' LYS . 6.5 mm-40 -60.03 -46.73 88.53 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.824 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -69.92 -37.37 75.92 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.421 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . 0.433 ' HE2' ' HB2' ' A' ' 595' ' ' LYS . 3.0 tppt? -64.27 -35.75 81.86 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.291 0.567 . . . . 0.0 109.625 179.033 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 596' ' ' ARG . . . . . 0.636 ' O ' ' HG3' ' A' ' 600' ' ' GLU . 10.3 ttp85 -57.96 -50.69 72.53 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 114.858 -1.064 . . . . 0.0 109.464 176.371 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . 0.644 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 13.0 mmmm -58.23 -41.32 83.89 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.423 178.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . 0.837 ' HB3' ' HZ3' ' A' ' 573' ' ' LYS . 73.3 mm-40 -61.11 -53.49 56.37 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.9 0.857 . . . . 0.0 111.144 178.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.649 ' O ' HG11 ' A' ' 602' ' ' VAL . 2.4 tm? -59.31 -40.57 86.67 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.688 179.205 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . 0.636 ' HG3' ' O ' ' A' ' 596' ' ' ARG . 32.5 mt-10 -58.8 -37.15 75.7 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.172 176.063 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 601' ' ' GLN . . . . . 0.644 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 76.3 mt-30 -66.2 -31.83 72.89 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 111.589 0.218 . . . . 0.0 111.589 178.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . 0.759 HG12 ' HG2' ' A' ' 573' ' ' LYS . 1.5 p -75.45 -40.28 41.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.024 -0.67 . . . . 0.0 111.114 179.292 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 603' ' ' CYS . . . . . 0.745 ' HB2' HD13 ' A' ' 607' ' ' ILE . 25.1 p -83.08 -25.08 32.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.906 -177.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 604' ' ' ASN . . . . . 0.609 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 15.9 t30 -48.72 -55.49 19.57 Favored Pre-proline 0 N--CA 1.473 0.705 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -177.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 605' ' ' PRO . . . . . 0.609 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 51.7 Cg_exo -58.51 -25.12 72.82 Favored 'Trans proline' 0 C--N 1.357 1.01 0 C-N-CA 122.032 1.821 . . . . 0.0 112.536 -179.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 606' ' ' ILE . . . . . 0.769 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -91.37 -40.38 12.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.562 -175.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 607' ' ' ILE . . . . . 0.745 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.2 mp -68.29 -22.42 27.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 C-N-CA 123.523 0.729 . . . . 0.0 111.971 -176.159 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 13.1 m -56.68 -29.45 62.37 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -113.15 10.73 24.61 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.443 -0.884 . . . . 0.0 112.717 -177.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 610' ' ' LEU . . . . . 0.761 HD21 ' HB ' ' A' ' 562' ' ' ILE . 52.1 mt . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.56 -0.733 . . . . 0.0 110.541 -177.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 120.732 0.301 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.606 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . -70.1 -28.16 65.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.222 -175.541 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . 0.433 ' HG2' HD22 ' A' ' 581' ' ' LEU . 10.4 tttt -67.81 -46.89 70.63 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -62.57 -43.24 99.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.539 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -62.73 -44.47 96.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.425 177.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.816 ' HB3' HD23 ' A' ' 581' ' ' LEU . 0.2 OUTLIER -63.56 -47.34 81.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.424 -178.146 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . 0.718 ' HG3' HD12 ' A' ' 581' ' ' LEU . 5.4 tt0 -63.61 -49.18 74.33 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.388 -177.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 60.5 m -64.71 -32.33 73.96 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.04 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . 0.446 ' CD1' HD13 ' A' ' 599' ' ' LEU . 2.0 t80 -66.07 -49.29 68.15 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -63.14 -44.73 94.71 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 178.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.574 ' CD1' HD13 ' A' ' 578' ' ' ILE . 1.8 m-85 -56.22 -41.47 75.72 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.535 176.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -59.56 -50.23 74.7 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.571 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 549' ' ' MET . . . . . 0.443 ' HE3' ' HA ' ' A' ' 549' ' ' MET . 22.0 mmt -66.3 -43.86 85.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.357 0.599 . . . . 0.0 110.176 -178.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . 0.575 ' HG3' ' CD2' ' A' ' 571' ' ' LEU . 4.2 ttmm -59.44 -48.87 79.99 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.882 -1.053 . . . . 0.0 111.416 177.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 6.2 t -66.55 -35.4 80.14 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.867 179.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -64.76 -45.63 85.6 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 553' ' ' VAL . . . . . 0.769 HG11 HG13 ' A' ' 570' ' ' VAL . 29.6 m -74.4 -35.84 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.308 0.575 . . . . 0.0 111.109 -178.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 554' ' ' GLU . . . . . 0.689 ' HG2' HD12 ' A' ' 571' ' ' LEU . 3.5 mm-40 -86.4 5.05 36.82 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.827 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 555' ' ' ASP . . . . . 0.548 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 25.9 t70 -68.44 138.53 55.36 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.098 177.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 556' ' ' GLU . . . . . 0.444 ' O ' ' HE3' ' A' ' 559' ' ' LYS . 9.5 mm-40 -70.11 -12.3 61.5 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -177.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -101.46 -32.31 5.22 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.219 -0.991 . . . . 0.0 111.073 177.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . 0.548 ' HB2' ' HB3' ' A' ' 555' ' ' ASP . 15.5 mt -87.24 -7.62 57.69 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.709 0.29 . . . . 0.0 111.47 178.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . 0.444 ' HE3' ' O ' ' A' ' 556' ' ' GLU . 21.5 pttp -65.38 124.12 21.42 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 172.534 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 106.11 -32.72 7.07 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 -172.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . 0.52 ' HG3' HD22 ' A' ' 558' ' ' LEU . 30.6 mmtm -69.09 -38.54 79.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.49 0.662 . . . . 0.0 109.322 174.151 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . 0.878 ' HB ' HD21 ' A' ' 610' ' ' LEU . 5.7 tt -109.22 150.04 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.724 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.738 178.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 19.0 m -82.09 163.27 22.14 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.317 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -58.77 -47.11 85.83 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 -173.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -60.93 -39.58 89.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.797 -175.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 566' ' ' ASP . . . . . 0.536 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 21.9 m-20 -70.45 -45.29 66.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.541 -178.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.56 ' HE2' ' O ' ' A' ' 553' ' ' VAL . 23.3 ttmt -55.91 -47.7 76.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.244 0.545 . . . . 0.0 110.048 174.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -62.56 -45.17 94.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.859 -177.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 569' ' ' LYS . . . . . 0.536 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 18.7 ptmt -65.05 -45.53 84.98 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.533 -176.244 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 570' ' ' VAL . . . . . 0.769 HG13 HG11 ' A' ' 553' ' ' VAL . 12.5 p -70.46 -41.07 78.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.558 -177.033 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . 0.689 HD12 ' HG2' ' A' ' 554' ' ' GLU . 48.6 mt -59.88 -46.69 88.5 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.149 0.5 . . . . 0.0 110.197 176.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -63.89 -45.1 90.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.651 -178.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 573' ' ' LYS . . . . . 0.637 ' CG ' HG12 ' A' ' 602' ' ' VAL . 48.2 tptt -65.62 -39.32 91.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.778 177.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 574' ' ' CYS . . . . . 0.803 ' SG ' HD12 ' A' ' 578' ' ' ILE . 5.5 t -60.42 -41.79 94.68 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.556 0.693 . . . . 0.0 110.066 177.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -61.17 -40.32 93.43 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 114.955 -1.021 . . . . 0.0 111.519 175.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -57.62 -56.26 24.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.969 0.414 . . . . 0.0 110.51 177.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 577' ' ' VAL . . . . . 0.561 HG12 ' O ' ' A' ' 573' ' ' LYS . 0.8 OUTLIER -63.32 -43.33 98.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.404 -179.393 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 578' ' ' ILE . . . . . 0.803 HD12 ' SG ' ' A' ' 574' ' ' CYS . 13.7 mt -61.53 -40.41 86.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.61 0.243 . . . . 0.0 111.438 -178.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 70.1 m -70.89 -30.77 67.23 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.717 176.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -71.49 -37.58 71.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.876 178.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 581' ' ' LEU . . . . . 0.816 HD23 ' HB3' ' A' ' 542' ' ' LEU . 23.4 mt -60.48 -46.63 89.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.74 177.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -65.89 -33.1 75.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.227 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -82.74 -31.7 28.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.986 -176.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -119.19 63.6 0.79 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.258 0.552 . . . . 0.0 111.25 -177.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 71.7 p -77.03 -12.3 59.92 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.955 0.883 . . . . 0.0 109.094 174.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . 0.423 HD22 ' N ' ' A' ' 586' ' ' LEU . 1.7 mm? -93.54 5.48 51.44 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 114.255 -1.339 . . . . 0.0 110.141 -179.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -72.28 160.6 32.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.284 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -91.05 171.14 9.47 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.66 176.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 21.3 pttm -54.36 -44.7 72.41 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.285 0.564 . . . . 0.0 111.75 -173.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 590' ' ' ASP . . . . . 0.422 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 6.6 m-20 -65.56 -30.44 71.18 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.351 -174.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -60.36 -41.63 94.11 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.229 0.538 . . . . 0.0 109.933 177.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 592' ' ' PHE . . . . . 0.611 ' O ' HD23 ' A' ' 542' ' ' LEU . 83.8 m-85 -67.61 -45.62 74.93 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.401 175.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . 0.468 ' O ' ' HG2' ' A' ' 597' ' ' LYS . 11.9 mm-40 -59.44 -36.6 76.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.55 -178.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -64.37 -43.51 94.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.179 0.514 . . . . 0.0 109.851 174.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . 0.493 ' HB2' ' HZ2' ' A' ' 595' ' ' LYS . 0.3 OUTLIER -65.95 -35.68 81.25 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.636 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 596' ' ' ARG . . . . . 0.562 ' HB2' HD23 ' A' ' 542' ' ' LEU . 33.5 ttp85 -60.82 -37.19 81.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.91 178.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . 0.602 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 39.2 mmtm -62.26 -48.59 79.26 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 121.309 0.576 . . . . 0.0 109.856 174.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . 0.581 ' HB3' ' HZ3' ' A' ' 573' ' ' LYS . 38.4 mt-10 -60.2 -56.07 26.07 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.964 -175.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.629 ' O ' HG11 ' A' ' 602' ' ' VAL . 2.8 tm? -59.2 -38.1 79.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.627 -177.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . 0.54 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 39.7 tt0 -58.94 -41.65 87.92 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.851 176.153 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 601' ' ' GLN . . . . . 0.602 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 90.5 mt-30 -65.17 -32.58 74.33 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -178.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . 0.637 HG12 ' CG ' ' A' ' 573' ' ' LYS . 1.6 p -74.28 -40.29 50.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.786 -179.131 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 603' ' ' CYS . . . . . 0.671 ' HA ' HD11 ' A' ' 606' ' ' ILE . 8.4 p -83.33 -27.51 29.69 Favored 'General case' 0 C--O 1.223 -0.298 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -177.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 604' ' ' ASN . . . . . 0.593 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 25.7 t30 -49.9 -52.27 53.66 Favored Pre-proline 0 CA--C 1.543 0.68 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -175.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 605' ' ' PRO . . . . . 0.593 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 49.2 Cg_exo -60.55 -30.67 91.12 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 122.141 1.894 . . . . 0.0 112.492 178.568 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 606' ' ' ILE . . . . . 0.671 HD11 ' HA ' ' A' ' 603' ' ' CYS . 0.0 OUTLIER -81.19 -40.13 18.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.27 -178.479 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 607' ' ' ILE . . . . . 0.614 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -64.72 -29.69 48.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.342 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 48.2 m -69.0 -11.71 61.03 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.646 178.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -113.85 -4.45 22.81 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.949 -0.643 . . . . 0.0 111.699 177.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 610' ' ' LEU . . . . . 0.878 HD21 ' HB ' ' A' ' 562' ' ' ILE . 59.6 mt . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.592 -0.718 . . . . 0.0 110.504 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 5.3 p . . . . . 0 N--CA 1.482 1.147 0 CA-C-O 120.591 0.234 . . . . 0.0 111.496 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.697 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . -69.38 -25.83 64.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.223 -177.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . 0.864 ' HZ1' ' HB3' ' A' ' 581' ' ' LEU . 3.4 tmtm? -67.99 -49.56 60.91 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 177.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -61.96 -42.93 99.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.65 -1.159 . . . . 0.0 110.737 177.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 541' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 545' ' ' TYR . . . -62.11 -49.45 75.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 178.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.702 HD13 HG21 ' A' ' 577' ' ' VAL . 0.5 OUTLIER -63.35 -47.87 80.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.306 -0.407 . . . . 0.0 112.062 -176.479 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . 0.828 ' HG3' HD12 ' A' ' 581' ' ' LEU . 10.2 tt0 -68.39 -42.4 79.13 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.022 -174.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 23.0 t -65.61 -39.44 91.53 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.051 177.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . 0.523 ' CZ ' ' HG2' ' A' ' 600' ' ' GLU . 1.7 t80 -62.98 -48.55 78.36 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.055 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.97 -42.98 89.19 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.473 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.407 ' CD1' HD13 ' A' ' 578' ' ' ILE . 1.6 m-85 -56.84 -44.27 81.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.362 174.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -59.33 -49.59 77.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.793 -179.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 549' ' ' MET . . . . . 0.439 ' HE3' ' HA ' ' A' ' 549' ' ' MET . 24.6 mmt -65.77 -41.46 92.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.198 0.523 . . . . 0.0 110.54 -178.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . 0.704 ' HG3' HD22 ' A' ' 571' ' ' LEU . 5.2 ttmm -61.46 -46.21 91.03 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.003 177.4 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 32.9 m -65.96 -35.36 80.38 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 176.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -63.92 -45.17 90.45 Favored 'General case' 0 C--O 1.225 -0.233 0 CA-C-O 120.776 0.322 . . . . 0.0 111.839 -177.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 553' ' ' VAL . . . . . 0.62 HG13 HG13 ' A' ' 570' ' ' VAL . 35.2 m -77.01 -35.79 23.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.095 0.474 . . . . 0.0 111.269 -178.297 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 554' ' ' GLU . . . . . 0.481 ' HB2' ' O ' ' A' ' 550' ' ' LYS . 0.4 OUTLIER -88.0 4.27 45.66 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.677 -178.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 555' ' ' ASP . . . . . 0.532 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 32.5 t70 -68.29 135.82 52.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.2 0.524 . . . . 0.0 110.767 178.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -69.66 -9.41 54.15 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.657 -0.702 . . . . 0.0 112.498 -176.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -102.2 -28.02 6.66 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.022 175.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . 1.043 HD22 ' HD2' ' A' ' 561' ' ' LYS . 4.4 mt -91.7 -11.21 37.53 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.607 0.241 . . . . 0.0 111.455 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 57.3 pttt -64.73 127.6 32.23 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.163 -0.681 . . . . 0.0 109.163 173.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 103.44 -27.32 20.37 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.753 -0.736 . . . . 0.0 111.502 -172.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . 1.043 ' HD2' HD22 ' A' ' 558' ' ' LEU . 81.0 mttt -78.89 -38.19 38.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.323 0.582 . . . . 0.0 109.761 176.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . 0.768 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.6 tt -106.28 150.31 9.0 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.182 -179.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.76 145.06 34.61 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 175.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' A' ' 568' ' ' LYS . 21.5 mm-40 -59.99 -31.68 70.14 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.617 -172.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -61.73 -43.22 99.27 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.038 177.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 566' ' ' ASP . . . . . 0.602 ' HB3' ' HB ' ' A' ' 606' ' ' ILE . 2.2 m-20 -68.64 -45.29 72.21 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 179.138 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.54 ' HE2' ' O ' ' A' ' 553' ' ' VAL . 35.8 ttmt -54.78 -48.36 72.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.894 175.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 564' ' ' GLU . 57.4 mtpt -63.53 -48.98 75.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.52 -178.222 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 569' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 18.3 ptmt -60.97 -43.85 98.19 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.433 -174.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 570' ' ' VAL . . . . . 0.62 HG13 HG13 ' A' ' 553' ' ' VAL . 11.1 p -70.91 -44.57 75.77 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.498 -179.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . 0.704 HD22 ' HG3' ' A' ' 550' ' ' LYS . 29.1 mt -56.88 -47.24 80.93 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.037 0.446 . . . . 0.0 110.11 178.014 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -59.46 -46.95 87.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.407 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 573' ' ' LYS . . . . . 0.672 ' CG ' HG12 ' A' ' 602' ' ' VAL . 48.7 tptt -66.84 -40.77 88.04 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 87.4 m -59.34 -38.34 80.09 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.964 0.412 . . . . 0.0 110.38 176.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -66.13 -37.28 85.31 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.059 176.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.84 -53.06 62.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.781 177.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 577' ' ' VAL . . . . . 0.702 HG21 HD13 ' A' ' 542' ' ' LEU . 0.6 OUTLIER -66.18 -43.68 91.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.335 179.551 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 578' ' ' ILE . . . . . 0.522 ' HA ' HD13 ' A' ' 581' ' ' LEU . 26.4 mt -61.67 -40.15 85.73 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -178.134 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 20.4 p -71.66 -33.93 69.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.137 0.494 . . . . 0.0 110.589 176.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 580' ' ' TRP . . . . . 0.406 ' HZ3' ' CD1' ' A' ' 592' ' ' PHE . 51.3 t90 -66.21 -35.44 80.46 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 176.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 581' ' ' LEU . . . . . 0.864 ' HB3' ' HZ1' ' A' ' 539' ' ' LYS . 17.1 mt -61.76 -47.09 86.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.612 178.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -62.95 -35.32 79.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.507 0.67 . . . . 0.0 109.907 177.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -75.9 -31.46 59.2 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.912 -1.04 . . . . 0.0 111.686 -177.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -126.5 69.83 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.662 -177.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.44 -29.5 52.89 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.412 0.625 . . . . 0.0 110.65 177.435 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -96.51 6.28 49.07 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.793 -175.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -56.18 156.2 5.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.502 176.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -78.75 162.17 26.33 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.081 175.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . 0.772 ' HD2' ' H ' ' A' ' 590' ' ' ASP . 0.0 OUTLIER -56.22 -41.93 76.45 Favored 'General case' 0 C--N 1.316 -0.86 0 O-C-N 123.252 0.345 . . . . 0.0 111.681 -175.461 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 590' ' ' ASP . . . . . 0.772 ' H ' ' HD2' ' A' ' 589' ' ' LYS . 12.9 m-20 -57.94 -35.23 70.83 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -61.24 -45.58 93.93 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.377 0.608 . . . . 0.0 109.707 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 592' ' ' PHE . . . . . 0.697 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 82.1 m-85 -66.84 -39.24 87.55 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.627 175.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . 0.487 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 19.8 mm-40 -59.28 -40.49 86.23 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.356 -178.047 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -64.63 -43.2 94.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.011 0.434 . . . . 0.0 110.085 174.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . 0.554 ' HG2' HG22 ' A' ' 577' ' ' VAL . 0.0 OUTLIER -60.68 -37.61 82.16 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.863 179.174 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 596' ' ' ARG . . . . . 0.681 ' HB2' HD23 ' A' ' 542' ' ' LEU . 53.8 ttp85 -60.83 -49.91 75.59 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.017 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . 0.48 ' O ' ' HG2' ' A' ' 601' ' ' GLN . 24.1 mmmt -57.69 -43.73 85.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.45 -178.585 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . 0.429 ' OE1' ' HE3' ' A' ' 595' ' ' LYS . 45.3 mt-10 -60.15 -50.82 72.18 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.068 178.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.67 ' O ' HG11 ' A' ' 602' ' ' VAL . 2.4 tm? -59.35 -44.42 92.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.694 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . 0.662 ' HG3' ' O ' ' A' ' 596' ' ' ARG . 33.3 mt-10 -57.23 -46.29 83.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.096 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 601' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' A' ' 597' ' ' LYS . 13.6 mm100 -68.32 -22.99 64.67 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -178.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . 0.672 HG12 ' CG ' ' A' ' 573' ' ' LYS . 1.3 p -76.39 -41.86 35.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.711 175.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 603' ' ' CYS . . . . . 0.581 ' HB2' HD13 ' A' ' 607' ' ' ILE . 6.7 p -82.96 -27.73 30.29 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.645 -176.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 604' ' ' ASN . . . . . 0.624 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 37.2 t30 -49.87 -52.16 54.43 Favored Pre-proline 0 CA--C 1.54 0.562 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -177.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 605' ' ' PRO . . . . . 0.624 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 51.2 Cg_exo -60.52 -26.28 82.47 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 122.145 1.897 . . . . 0.0 112.394 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 606' ' ' ILE . . . . . 0.768 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -85.8 -40.54 14.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.014 -179.18 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 607' ' ' ILE . . . . . 0.581 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -64.19 -27.9 43.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.292 178.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 24.5 t -61.85 -20.47 63.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.723 176.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -117.55 27.7 7.48 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.985 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 610' ' ' LEU . . . . . 0.519 HD23 HD23 ' A' ' 558' ' ' LEU . 50.1 mt . . . . . 0 C--O 1.252 1.199 0 CA-C-O 118.401 -0.809 . . . . 0.0 110.513 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 N--CA 1.476 0.861 0 CA-C-O 120.921 0.391 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.687 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . -61.82 -36.09 80.13 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.23 -178.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . 0.623 ' HZ1' ' HB3' ' A' ' 581' ' ' LEU . 2.5 tmtm? -62.03 -48.77 78.8 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -178.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -64.17 -48.15 77.11 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.727 -178.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 541' ' ' ALA . . . . . 0.477 ' O ' ' HB2' ' A' ' 545' ' ' TYR . . . -62.39 -35.04 77.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.568 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.674 HD13 HD23 ' A' ' 581' ' ' LEU . 1.7 tm? -72.41 -48.07 44.18 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.182 -178.058 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . 0.948 ' HG3' HD12 ' A' ' 581' ' ' LEU . 5.9 tt0 -67.51 -47.11 70.92 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 120.771 0.319 . . . . 0.0 110.181 -178.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 48.8 m -57.73 -35.61 70.91 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.403 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . 0.507 ' CD1' HD13 ' A' ' 599' ' ' LEU . 2.6 t80 -63.91 -50.28 69.35 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 178.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -66.42 -42.89 87.1 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 120.985 0.422 . . . . 0.0 110.317 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -57.41 -41.48 80.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.358 175.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 -63.66 -49.53 72.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.901 -0.591 . . . . 0.0 112.051 -178.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 549' ' ' MET . . . . . 0.442 ' HE3' ' HA ' ' A' ' 549' ' ' MET . 23.4 mmt -64.84 -41.49 95.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.454 0.645 . . . . 0.0 110.006 -179.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . 0.581 ' HG3' ' CD2' ' A' ' 571' ' ' LEU . 3.0 ttmm -60.34 -45.37 93.67 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.792 -1.095 . . . . 0.0 110.995 175.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 69.2 m -66.17 -36.35 82.86 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.595 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -65.08 -45.72 84.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.725 -177.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 553' ' ' VAL . . . . . 0.705 HG13 HG13 ' A' ' 570' ' ' VAL . 33.2 m -76.4 -36.16 28.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.286 0.565 . . . . 0.0 111.134 -179.164 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 554' ' ' GLU . . . . . 0.666 ' HA ' ' HE3' ' A' ' 567' ' ' LYS . 1.9 mm-40 -84.33 3.47 35.58 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.049 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 555' ' ' ASP . . . . . 0.525 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 30.9 t70 -64.82 132.99 51.01 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 176.13 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -70.81 -7.78 47.77 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.471 -175.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -101.87 -38.04 3.26 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.338 -0.934 . . . . 0.0 111.496 175.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . 0.749 ' HA ' ' HD2' ' A' ' 561' ' ' LYS . 5.9 mt -80.5 -9.96 59.75 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 57.6 pttt -64.01 116.66 6.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.337 0.589 . . . . 0.0 109.466 174.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 113.76 -37.06 3.73 Favored Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -172.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . 0.749 ' HD2' ' HA ' ' A' ' 558' ' ' LEU . 78.8 mttt -66.63 -35.77 80.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.477 0.656 . . . . 0.0 110.215 175.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . 0.758 ' HB ' HD21 ' A' ' 610' ' ' LEU . 6.1 tt -106.11 151.19 8.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.14 174.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 19.6 m -70.97 143.3 50.9 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 175.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -59.93 -31.51 69.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.177 -176.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -62.98 -43.32 99.11 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.317 177.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 566' ' ' ASP . . . . . 0.632 ' HA ' ' HD3' ' A' ' 569' ' ' LYS . 36.1 m-20 -68.48 -43.37 77.1 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.67 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 86.0 tttt -54.74 -48.2 72.88 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.022 175.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -68.45 -44.44 74.86 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.94 -177.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 569' ' ' LYS . . . . . 0.632 ' HD3' ' HA ' ' A' ' 566' ' ' ASP . 21.2 pttt -63.9 -43.19 96.73 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.292 -176.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 570' ' ' VAL . . . . . 0.705 HG13 HG13 ' A' ' 553' ' ' VAL . 12.5 p -70.44 -40.15 77.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.663 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . 0.581 ' CD2' ' HG3' ' A' ' 550' ' ' LYS . 36.1 mt -59.06 -47.38 85.45 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 175.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -59.43 -47.1 86.77 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.699 177.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 573' ' ' LYS . . . . . 0.703 ' CG ' HG12 ' A' ' 602' ' ' VAL . 48.5 tptt -63.76 -41.45 97.99 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.809 179.49 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 574' ' ' CYS . . . . . 0.534 ' HG ' HG22 ' A' ' 570' ' ' VAL . 96.6 m -62.5 -38.41 89.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.27 0.557 . . . . 0.0 109.888 177.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -65.62 -39.11 91.13 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.66 176.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.44 -55.3 36.62 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.369 176.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 577' ' ' VAL . . . . . 0.594 HG12 ' O ' ' A' ' 573' ' ' LYS . 1.3 p -66.68 -41.72 88.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.906 -179.236 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 578' ' ' ILE . . . . . 0.515 ' HA ' HD13 ' A' ' 581' ' ' LEU . 19.9 mt -61.25 -37.79 78.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.753 0.311 . . . . 0.0 110.968 179.221 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 45.8 m -68.83 -37.32 79.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.143 0.497 . . . . 0.0 110.191 174.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 56.3 t90 -65.12 -35.92 82.65 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.609 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 581' ' ' LEU . . . . . 0.948 HD12 ' HG3' ' A' ' 543' ' ' GLU . 14.6 mt -63.01 -47.28 83.77 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.151 -0.932 . . . . 0.0 111.646 178.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -64.05 -34.23 77.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.855 178.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -77.76 -31.27 51.94 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.735 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -118.96 63.6 0.78 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.104 -177.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 8.4 p -76.54 -12.83 60.09 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.948 176.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -105.28 7.09 33.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.512 -177.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -62.48 153.78 30.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.009 178.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -85.44 170.98 12.17 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.125 176.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . 0.401 ' O ' ' HG3' ' A' ' 593' ' ' GLU . 0.0 OUTLIER -56.21 -46.22 79.56 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -172.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 590' ' ' ASP . . . . . 0.481 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 7.6 p-10 -67.53 -22.81 65.4 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -176.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.88 -49.31 78.2 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 172.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 592' ' ' PHE . . . . . 0.687 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 84.0 m-85 -67.36 -44.45 78.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.18 179.242 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . 0.481 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 53.1 mt-10 -60.46 -40.93 92.99 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.715 -177.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -69.37 -40.49 77.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.983 0.42 . . . . 0.0 110.321 177.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . 0.425 ' HA ' ' HD3' ' A' ' 595' ' ' LYS . 16.9 tppt? -61.79 -36.46 81.17 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.289 175.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 596' ' ' ARG . . . . . 0.539 ' HB2' HD21 ' A' ' 542' ' ' LEU . 28.5 ttp180 -60.25 -38.47 83.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.84 178.185 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . 0.569 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 28.5 mmmt -64.71 -40.29 95.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.889 176.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . 0.567 ' HB3' ' HZ1' ' A' ' 573' ' ' LYS . 49.1 mt-10 -60.12 -56.25 23.91 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.688 0.756 . . . . 0.0 110.868 177.311 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.67 ' O ' HG11 ' A' ' 602' ' ' VAL . 2.5 tm? -59.79 -40.34 87.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.728 -1.124 . . . . 0.0 109.253 -177.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . 0.472 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 31.9 tt0 -55.99 -47.24 78.08 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.945 177.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 601' ' ' GLN . . . . . 0.569 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 15.3 mt-30 -69.23 -24.16 63.97 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.484 -0.486 . . . . 0.0 112.092 -176.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . 0.703 HG12 ' CG ' ' A' ' 573' ' ' LYS . 1.6 p -76.27 -40.87 36.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 119.946 -0.701 . . . . 0.0 110.677 176.092 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 603' ' ' CYS . . . . . 0.592 ' HA ' HD11 ' A' ' 606' ' ' ILE . 17.3 p -83.32 -28.38 29.09 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.55 -177.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 604' ' ' ASN . . . . . 0.532 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 10.0 t30 -50.71 -52.1 59.67 Favored Pre-proline 0 CA--C 1.539 0.537 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -176.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 605' ' ' PRO . . . . . 0.532 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 60.7 Cg_exo -55.82 -34.25 90.74 Favored 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 122.237 1.958 . . . . 0.0 112.262 177.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 606' ' ' ILE . . . . . 0.638 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -81.27 -40.37 18.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.283 -176.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 607' ' ' ILE . . . . . 0.592 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -66.44 -35.58 75.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.902 -179.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 69.0 m -66.32 -20.54 66.12 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 120.813 0.339 . . . . 0.0 111.23 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -98.9 -9.45 52.21 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.9 178.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 610' ' ' LEU . . . . . 0.758 HD21 ' HB ' ' A' ' 562' ' ' ILE . 65.4 mt . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.693 -0.67 . . . . 0.0 110.736 -178.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 20.4 m . . . . . 0 N--CA 1.474 0.754 0 CA-C-O 120.432 0.158 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.624 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . -64.91 -29.95 70.92 Favored 'General case' 0 C--O 1.227 -0.112 0 CA-C-O 120.539 0.209 . . . . 0.0 110.857 179.308 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . 0.605 ' HE3' HG22 ' A' ' 585' ' ' THR . 13.4 tmtt? -65.01 -45.99 83.25 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 176.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -63.82 -47.6 80.17 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.638 177.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -58.13 -48.24 80.84 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 178.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.703 ' HB3' HD23 ' A' ' 581' ' ' LEU . 0.2 OUTLIER -62.0 -46.75 87.87 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.239 -177.523 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . 0.727 ' HG3' HD12 ' A' ' 581' ' ' LEU . 11.2 tt0 -67.05 -44.72 79.45 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.217 -176.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 63.7 m -66.48 -32.23 73.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.397 177.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . 0.434 ' CD1' HD13 ' A' ' 599' ' ' LEU . 4.7 t80 -66.14 -50.24 64.65 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.86 -40.51 91.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.213 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -57.63 -42.77 84.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.531 174.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -64.06 -49.11 73.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.733 -178.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 549' ' ' MET . . . . . 0.498 ' HE3' ' HA ' ' A' ' 549' ' ' MET . 21.3 mmt -62.96 -43.21 99.43 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.307 0.575 . . . . 0.0 109.942 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . 0.566 ' HG3' ' CD2' ' A' ' 571' ' ' LEU . 4.6 ttmm -58.36 -48.24 81.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.264 175.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 50.8 m -66.28 -36.28 82.57 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.605 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -64.75 -45.18 87.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.859 0.361 . . . . 0.0 111.759 -176.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 553' ' ' VAL . . . . . 0.737 HG13 HG13 ' A' ' 570' ' ' VAL . 35.0 m -75.55 -36.66 35.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.213 0.53 . . . . 0.0 111.057 -178.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 554' ' ' GLU . . . . . 0.63 ' HG2' HD12 ' A' ' 571' ' ' LEU . 3.8 mm-40 -86.24 4.11 40.22 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.892 -178.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 555' ' ' ASP . . . . . 0.591 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 29.2 t70 -65.9 141.21 58.32 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.378 0.608 . . . . 0.0 111.435 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 556' ' ' GLU . . . . . 0.582 ' O ' ' HG2' ' A' ' 559' ' ' LYS . 9.0 pt-20 -70.94 -16.61 62.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.13 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -94.2 -41.22 4.34 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.414 -0.898 . . . . 0.0 111.223 177.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . 0.627 ' HA ' ' HG3' ' A' ' 561' ' ' LYS . 14.9 mt -80.65 1.63 29.17 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.236 -0.482 . . . . 0.0 111.947 178.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . 0.582 ' HG2' ' O ' ' A' ' 556' ' ' GLU . 18.1 ptpt -64.22 127.45 31.51 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 175.383 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 95.0 -20.48 48.94 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.816 -177.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . 0.627 ' HG3' ' HA ' ' A' ' 558' ' ' LEU . 32.1 mmtm -74.15 -35.23 64.05 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 176.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . 0.764 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.9 tt -111.19 151.63 13.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.887 178.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 24.9 m -77.64 156.18 30.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.409 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -55.25 -47.42 75.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.75 0.31 . . . . 0.0 111.123 -176.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -59.0 -43.13 91.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.89 -175.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 566' ' ' ASP . . . . . 0.536 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 14.4 m-20 -67.14 -47.94 69.58 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -178.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.682 ' HE2' ' O ' ' A' ' 553' ' ' VAL . 35.8 ttmt -54.95 -48.9 72.59 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.454 176.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -62.25 -45.62 92.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.734 -177.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 569' ' ' LYS . . . . . 0.536 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 17.4 pttt -67.34 -44.16 79.75 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.725 -175.321 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 570' ' ' VAL . . . . . 0.737 HG13 HG13 ' A' ' 553' ' ' VAL . 12.5 p -70.03 -38.57 75.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.824 -177.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . 0.63 HD12 ' HG2' ' A' ' 554' ' ' GLU . 35.5 mt -61.59 -49.08 78.05 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.848 0.356 . . . . 0.0 110.087 176.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -59.91 -43.94 94.57 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.399 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 573' ' ' LYS . . . . . 0.679 ' CG ' HG12 ' A' ' 602' ' ' VAL . 49.5 tptt -64.85 -42.54 94.8 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.863 177.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 574' ' ' CYS . . . . . 0.484 ' HG ' HG22 ' A' ' 570' ' ' VAL . 98.1 m -62.79 -39.19 93.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.537 178.232 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -64.65 -37.52 87.88 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.819 176.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -58.63 -55.54 33.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.646 178.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 577' ' ' VAL . . . . . 0.531 HG12 ' O ' ' A' ' 573' ' ' LYS . 1.4 p -66.73 -40.38 85.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.723 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 578' ' ' ILE . . . . . 0.413 ' HA ' ' CD1' ' A' ' 581' ' ' LEU . 14.1 mt -60.97 -40.63 86.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.638 0.256 . . . . 0.0 111.584 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 13.1 p -72.67 -27.95 62.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.958 0.409 . . . . 0.0 110.632 176.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 80.0 t90 -71.18 -38.66 72.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.471 176.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 581' ' ' LEU . . . . . 0.727 HD12 ' HG3' ' A' ' 543' ' ' GLU . 44.7 mt -59.31 -44.36 92.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.635 176.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -65.15 -31.01 71.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.351 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -85.81 -32.33 21.82 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.708 -176.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -118.34 53.11 0.98 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.699 -176.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 585' ' ' THR . . . . . 0.605 HG22 ' HE3' ' A' ' 539' ' ' LYS . 18.7 p -68.85 -17.35 63.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.339 0.59 . . . . 0.0 110.656 177.277 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . 0.51 HD22 ' OG1' ' A' ' 585' ' ' THR . 2.2 mm? -96.18 5.58 50.73 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.144 -0.934 . . . . 0.0 110.75 -175.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . 0.411 ' HB3' ' HB2' ' A' ' 591' ' ' GLU . . . -68.41 158.65 33.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.244 176.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -89.22 168.8 11.98 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 176.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . 0.452 ' O ' ' HG3' ' A' ' 593' ' ' GLU . 20.1 pttm -56.11 -44.76 79.39 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -170.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 590' ' ' ASP . . . . . 0.473 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 2.5 p-10 -60.01 -29.22 68.33 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -177.294 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . 0.411 ' HB2' ' HB3' ' A' ' 587' ' ' ALA . 60.3 mm-40 -61.32 -44.23 97.55 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.353 0.596 . . . . 0.0 109.672 174.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 592' ' ' PHE . . . . . 0.624 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 90.8 m-85 -70.04 -44.62 68.85 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.743 177.241 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . 0.59 ' O ' ' HG2' ' A' ' 597' ' ' LYS . 45.2 mt-10 -58.29 -36.23 73.02 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.806 -177.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . 0.441 ' O ' ' HB2' ' A' ' 597' ' ' LYS . 2.1 t-80 -71.39 -39.45 71.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.219 0.533 . . . . 0.0 109.956 177.051 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . 0.456 ' HA ' ' HD3' ' A' ' 595' ' ' LYS . 11.7 tppt? -65.75 -35.72 81.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.248 177.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 596' ' ' ARG . . . . . 0.541 ' O ' ' HG3' ' A' ' 600' ' ' GLU . 7.6 ttp180 -57.98 -44.54 87.2 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 175.536 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . 0.59 ' HG2' ' O ' ' A' ' 593' ' ' GLU . 66.9 mmtt -54.43 -46.3 73.21 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.418 177.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . 0.543 ' HB3' ' HZ3' ' A' ' 573' ' ' LYS . 49.1 mt-10 -60.68 -53.99 50.67 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.5 0.667 . . . . 0.0 110.959 176.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.62 ' O ' HG11 ' A' ' 602' ' ' VAL . 2.0 tm? -60.54 -39.73 88.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.925 -177.161 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . 0.541 ' HG3' ' O ' ' A' ' 596' ' ' ARG . 51.7 mt-10 -55.94 -46.14 78.59 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.636 175.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 601' ' ' GLN . . . . . 0.535 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 45.8 mt-30 -68.65 -27.75 66.27 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -176.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . 0.679 HG12 ' CG ' ' A' ' 573' ' ' LYS . 1.6 p -75.84 -40.44 39.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 120.219 -0.592 . . . . 0.0 110.482 177.25 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 603' ' ' CYS . . . . . 0.648 ' HA ' HD11 ' A' ' 606' ' ' ILE . 19.8 p -83.03 -26.86 30.78 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.485 -177.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 604' ' ' ASN . . . . . 0.602 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 27.8 t30 -49.18 -54.01 33.43 Favored Pre-proline 0 N--CA 1.472 0.663 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 -176.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 605' ' ' PRO . . . . . 0.602 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 52.2 Cg_exo -58.94 -32.68 97.91 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 122.009 1.806 . . . . 0.0 111.976 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 606' ' ' ILE . . . . . 0.764 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -81.23 -40.61 18.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 114.966 -1.015 . . . . 0.0 110.22 -177.244 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 607' ' ' ILE . . . . . 0.635 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -66.76 -30.85 51.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.076 178.01 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 30.3 t -62.97 -29.11 70.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.096 174.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -98.33 5.8 61.03 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.358 178.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 610' ' ' LEU . . . . . 0.564 HD23 HD23 ' A' ' 558' ' ' LEU . 60.7 mt . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.749 -0.643 . . . . 0.0 109.975 178.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 23.9 m . . . . . 0 N--CA 1.473 0.718 0 CA-C-O 121.144 0.497 . . . . 0.0 110.443 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.54 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . -64.56 -27.54 69.03 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.836 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . 0.835 ' HZ2' ' HB3' ' A' ' 581' ' ' LEU . 2.1 tmtm? -60.89 -49.78 76.06 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 176.31 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -62.07 -44.83 95.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.617 -178.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -62.87 -42.78 99.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.75 179.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.649 HD23 ' O ' ' A' ' 592' ' ' PHE . 0.4 OUTLIER -65.32 -47.62 75.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.764 -177.908 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . 0.757 ' HG3' HD12 ' A' ' 581' ' ' LEU . 9.2 tt0 -66.9 -40.57 87.75 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.154 -176.404 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 39.6 m -66.29 -39.13 89.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.459 176.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . 0.585 ' CD1' HD13 ' A' ' 599' ' ' LEU . 2.6 t80 -62.45 -48.7 78.5 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 179.484 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 546' ' ' ALA . . . . . 0.436 ' C ' ' HG ' ' A' ' 574' ' ' CYS . . . -65.42 -44.3 87.81 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.233 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.536 ' CD1' HD13 ' A' ' 578' ' ' ILE . 1.3 m-85 -56.78 -44.01 81.43 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.465 176.232 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -58.85 -48.88 79.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.793 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 549' ' ' MET . . . . . 0.455 ' HE3' ' HA ' ' A' ' 549' ' ' MET . 22.5 mmt -66.53 -42.39 87.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.291 0.567 . . . . 0.0 110.469 -179.129 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . 0.62 ' HG3' HD22 ' A' ' 571' ' ' LEU . 7.1 ttmm -61.53 -46.03 91.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.964 177.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 58.1 m -63.17 -36.16 82.72 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.584 176.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -65.81 -46.16 79.65 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.963 0.356 . . . . 0.0 111.963 -176.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 553' ' ' VAL . . . . . 0.697 HG13 HG13 ' A' ' 570' ' ' VAL . 34.6 m -76.83 -35.27 24.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.414 0.626 . . . . 0.0 111.542 -178.252 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 554' ' ' GLU . . . . . 0.71 ' HA ' ' HE3' ' A' ' 567' ' ' LYS . 0.6 OUTLIER -85.9 4.16 38.64 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.868 -179.415 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 555' ' ' ASP . . . . . 0.462 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 32.0 t70 -67.63 138.41 56.37 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.194 0.521 . . . . 0.0 110.777 178.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 556' ' ' GLU . . . . . 0.607 ' O ' ' HG2' ' A' ' 559' ' ' LYS . 40.0 mm-40 -70.0 -18.45 63.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.584 -0.734 . . . . 0.0 112.096 -176.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -91.26 -32.92 8.42 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.354 -0.927 . . . . 0.0 111.127 178.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . 0.969 ' HA ' ' HD2' ' A' ' 561' ' ' LYS . 5.6 mt -86.69 2.28 49.11 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.439 -0.38 . . . . 0.0 111.846 179.492 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . 0.607 ' HG2' ' O ' ' A' ' 556' ' ' GLU . 6.6 ptpp? -64.23 130.08 42.46 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 174.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 91.04 -24.46 18.33 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.528 -0.844 . . . . 0.0 111.976 -175.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . 0.969 ' HD2' ' HA ' ' A' ' 558' ' ' LEU . 87.7 mttt -73.68 -39.32 64.49 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.333 0.587 . . . . 0.0 110.588 178.356 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . 0.713 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.4 tt -107.37 151.57 9.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.477 175.395 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 22.1 m -77.16 152.59 34.78 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -56.61 -43.73 80.44 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.142 0.276 . . . . 0.0 110.693 -176.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -58.27 -43.2 87.83 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.59 -177.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 566' ' ' ASP . . . . . 0.522 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 37.3 m-20 -67.57 -48.63 66.37 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.71 ' HE3' ' HA ' ' A' ' 554' ' ' GLU . 85.5 tttt -54.55 -48.0 72.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.668 176.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . 0.644 ' HZ2' ' HB3' ' A' ' 568' ' ' LYS . 10.1 mtpm? -61.93 -47.1 86.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.644 -178.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 569' ' ' LYS . . . . . 0.522 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 18.0 ptmt -64.35 -44.68 90.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.426 -174.32 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 570' ' ' VAL . . . . . 0.697 HG13 HG13 ' A' ' 553' ' ' VAL . 13.8 p -70.82 -38.34 72.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.534 -179.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . 0.62 HD22 ' HG3' ' A' ' 550' ' ' LYS . 45.6 mt -61.25 -48.73 80.09 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.981 0.419 . . . . 0.0 110.003 176.218 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -60.87 -47.19 87.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.832 -179.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 573' ' ' LYS . . . . . 0.658 ' CG ' HG12 ' A' ' 602' ' ' VAL . 49.9 tptt -65.85 -37.48 86.29 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.923 178.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 574' ' ' CYS . . . . . 0.794 ' SG ' HD12 ' A' ' 578' ' ' ILE . 4.7 t -59.48 -47.04 87.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.538 0.685 . . . . 0.0 109.944 175.114 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -59.7 -37.51 79.05 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.334 176.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -58.93 -55.47 34.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.706 0.289 . . . . 0.0 111.057 176.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 577' ' ' VAL . . . . . 0.598 HG12 ' O ' ' A' ' 573' ' ' LYS . 1.0 OUTLIER -64.83 -42.45 94.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.09 -178.869 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 578' ' ' ILE . . . . . 0.794 HD12 ' SG ' ' A' ' 574' ' ' CYS . 30.2 mt -62.27 -41.47 91.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.865 0.364 . . . . 0.0 111.325 178.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 33.6 t -65.28 -38.44 90.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.278 0.561 . . . . 0.0 110.148 176.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 44.7 t90 -70.01 -35.3 74.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.847 179.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 581' ' ' LEU . . . . . 0.835 ' HB3' ' HZ2' ' A' ' 539' ' ' LYS . 19.8 mt -59.05 -45.07 91.7 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.421 177.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -68.77 -33.09 73.3 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.187 178.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -80.78 -31.7 35.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.938 -176.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -128.55 58.18 1.57 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.053 0.454 . . . . 0.0 110.786 -177.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.26 -19.54 64.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.383 0.611 . . . . 0.0 110.192 176.036 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . 0.586 ' N ' HD21 ' A' ' 586' ' ' LEU . 2.9 mm? -95.16 5.15 52.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.716 -177.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -58.34 151.94 18.65 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -67.73 161.49 25.88 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.11 175.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -56.38 -44.36 80.12 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.194 0.521 . . . . 0.0 110.811 -176.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 590' ' ' ASP . . . . . 0.415 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 3.9 m-20 -61.54 -31.62 71.65 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.661 -177.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -61.38 -45.62 93.59 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 592' ' ' PHE . . . . . 0.649 ' O ' HD23 ' A' ' 542' ' ' LEU . 90.9 m-85 -65.89 -42.48 90.24 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.67 175.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' ' 597' ' ' LYS . 60.8 mm-40 -58.35 -42.73 87.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.215 -177.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -67.13 -38.69 85.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.002 0.429 . . . . 0.0 110.003 177.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . 0.55 ' HG2' HG22 ' A' ' 577' ' ' VAL . 0.4 OUTLIER -64.5 -36.16 83.31 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.725 179.521 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 596' ' ' ARG . . . . . 0.644 ' HB2' HD23 ' A' ' 542' ' ' LEU . 11.3 ttp180 -61.73 -41.95 98.32 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.058 -0.973 . . . . 0.0 109.815 177.254 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . 0.541 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 27.1 mmmt -67.1 -43.68 81.89 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.423 179.232 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . 0.531 ' HB3' ' HZ1' ' A' ' 573' ' ' LYS . 48.7 mt-10 -61.37 -51.18 69.86 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.574 178.422 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.695 ' O ' HG11 ' A' ' 602' ' ' VAL . 2.4 tm? -60.19 -40.32 89.59 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 179.223 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . 0.471 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 30.1 tt0 -55.9 -48.69 75.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.881 175.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 601' ' ' GLN . . . . . 0.541 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 47.7 mt-30 -69.16 -22.44 63.93 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -178.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . 0.695 HG11 ' O ' ' A' ' 599' ' ' LEU . 1.5 p -77.43 -40.51 28.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.099 176.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 603' ' ' CYS . . . . . 0.634 ' HB2' HD13 ' A' ' 607' ' ' ILE . 21.6 p -82.69 -27.12 31.45 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.472 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 604' ' ' ASN . . . . . 0.515 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 10.9 t30 -50.17 -50.43 69.94 Favored Pre-proline 0 CA--C 1.543 0.69 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -177.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 605' ' ' PRO . . . . . 0.515 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 50.1 Cg_exo -58.16 -25.62 72.33 Favored 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 122.27 1.98 . . . . 0.0 112.586 177.054 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 606' ' ' ILE . . . . . 0.713 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -91.39 -40.94 12.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.564 -177.758 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 607' ' ' ILE . . . . . 0.634 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -66.89 -30.21 48.87 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 C-N-CA 123.027 0.531 . . . . 0.0 111.008 -178.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 4.3 p -68.85 -11.25 60.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.511 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -115.43 -3.94 20.38 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.3 176.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 610' ' ' LEU . . . . . 0.635 HD21 ' HB ' ' A' ' 562' ' ' ILE . 60.4 mt . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.676 -0.678 . . . . 0.0 111.001 -178.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 21.6 m . . . . . 0 N--CA 1.476 0.857 0 CA-C-O 120.712 0.292 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.661 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . -59.19 -41.96 89.74 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.997 -177.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . 0.791 ' HZ3' ' HB3' ' A' ' 581' ' ' LEU . 2.3 tmtm? -56.87 -49.24 76.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.952 0.406 . . . . 0.0 109.954 178.116 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -63.97 -47.87 78.71 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.921 -176.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 541' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 545' ' ' TYR . . . -64.71 -38.51 91.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.711 179.03 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.539 HD13 HD23 ' A' ' 581' ' ' LEU . 2.0 tm? -66.26 -47.78 72.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.011 -177.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . 0.818 ' HG3' HD12 ' A' ' 581' ' ' LEU . 15.2 tt0 -68.44 -42.28 79.07 Favored 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -178.493 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 22.5 t -61.84 -35.23 77.65 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.908 177.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . 0.446 ' OH ' ' HG2' ' A' ' 600' ' ' GLU . 4.0 t80 -64.21 -49.13 73.21 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.027 179.018 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -66.3 -40.4 89.99 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.173 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.5 ' CD1' HD13 ' A' ' 578' ' ' ILE . 3.1 m-85 -59.11 -42.27 90.14 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.726 174.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -64.05 -48.36 76.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.035 -177.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 549' ' ' MET . . . . . 0.467 ' HE3' ' HA ' ' A' ' 549' ' ' MET . 17.6 mmt -64.39 -43.26 95.0 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.528 0.68 . . . . 0.0 110.018 179.122 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . 0.619 ' HG3' HD22 ' A' ' 571' ' ' LEU . 2.7 ttmm -59.0 -44.04 91.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.176 176.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 8.3 t -65.97 -36.54 83.6 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.841 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -64.18 -46.31 84.54 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -176.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 553' ' ' VAL . . . . . 0.646 HG13 HG13 ' A' ' 570' ' ' VAL . 33.8 m -76.71 -31.91 20.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.677 0.751 . . . . 0.0 111.195 -178.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 554' ' ' GLU . . . . . 0.565 ' HB2' ' O ' ' A' ' 550' ' ' LYS . 0.7 OUTLIER -87.01 5.62 36.45 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.067 -0.969 . . . . 0.0 111.729 178.489 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 555' ' ' ASP . . . . . 0.43 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 27.8 t70 -72.8 137.04 45.54 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.979 176.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -70.02 -14.5 62.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.359 -176.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -99.72 -18.0 24.28 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.177 -1.011 . . . . 0.0 111.608 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . 0.665 HD23 HD23 ' A' ' 610' ' ' LEU . 13.5 mt -100.61 -5.61 26.47 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.673 -0.264 . . . . 0.0 111.644 178.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -67.56 125.04 24.9 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 171.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 100.25 -23.78 34.58 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.227 -172.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . 0.528 ' HG3' ' HA ' ' A' ' 558' ' ' LEU . 33.8 mmtm -77.84 -43.69 29.58 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.535 0.683 . . . . 0.0 109.301 173.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . 0.732 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.3 tt -105.59 149.49 8.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 CA-C-N 114.845 -1.071 . . . . 0.0 109.728 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 22.1 m -78.6 150.66 32.67 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -54.61 -41.5 70.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.55 0.214 . . . . 0.0 111.358 -173.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -58.21 -42.91 87.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.589 -177.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 566' ' ' ASP . . . . . 0.493 ' HB3' ' HB ' ' A' ' 606' ' ' ILE . 20.9 m-20 -69.31 -46.57 66.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.083 0.468 . . . . 0.0 109.938 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.511 ' NZ ' ' HA ' ' A' ' 554' ' ' GLU . 29.3 tttp -54.26 -47.86 71.83 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.609 175.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -66.56 -47.68 72.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.752 -178.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 569' ' ' LYS . . . . . 0.576 ' HZ1' ' HB2' ' A' ' 569' ' ' LYS . 0.0 OUTLIER -60.97 -44.3 97.53 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 110.297 -0.261 . . . . 0.0 110.297 -175.383 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 570' ' ' VAL . . . . . 0.646 HG13 HG13 ' A' ' 553' ' ' VAL . 12.1 p -70.42 -43.2 78.36 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.232 -179.036 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . 0.619 HD22 ' HG3' ' A' ' 550' ' ' LYS . 41.6 mt -59.76 -45.56 91.85 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.787 0.327 . . . . 0.0 110.486 177.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 572' ' ' ASP . . . . . 0.454 ' O ' ' HG3' ' A' ' 576' ' ' GLU . 21.4 t70 -61.94 -47.99 82.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.254 -179.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 573' ' ' LYS . . . . . 0.63 ' HG2' HG12 ' A' ' 602' ' ' VAL . 44.7 tptt -64.4 -41.88 96.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.063 178.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 91.4 m -61.15 -38.64 87.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.043 0.449 . . . . 0.0 110.004 177.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . 0.424 ' CA ' HE21 ' A' ' 575' ' ' GLN . 0.0 OUTLIER -65.02 -39.36 93.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.141 176.476 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 576' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 572' ' ' ASP . 49.9 mt-10 -58.65 -56.16 25.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.088 0.47 . . . . 0.0 110.279 177.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 577' ' ' VAL . . . . . 0.598 HG12 ' O ' ' A' ' 573' ' ' LYS . 2.1 p -66.34 -39.7 84.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.731 -177.124 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 578' ' ' ILE . . . . . 0.5 HD13 ' CD1' ' A' ' 547' ' ' PHE . 13.2 mt -61.63 -41.89 92.07 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 CA-C-O 120.865 0.365 . . . . 0.0 110.898 177.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 26.6 t -65.45 -35.58 81.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.189 0.518 . . . . 0.0 109.934 175.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 580' ' ' TRP . . . . . 0.627 ' CZ2' ' HG3' ' A' ' 591' ' ' GLU . 46.5 t90 -68.67 -37.22 79.46 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.851 178.68 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 581' ' ' LEU . . . . . 0.818 HD12 ' HG3' ' A' ' 543' ' ' GLU . 14.7 mt -57.96 -46.59 84.88 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.79 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -68.84 -21.97 64.25 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.646 178.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -90.66 -31.77 16.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.081 -175.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -125.5 47.18 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.431 -177.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.74 -23.04 65.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.27 177.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . 0.439 ' H ' HD21 ' A' ' 586' ' ' LEU . 1.0 OUTLIER -90.18 5.52 46.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.77 -175.746 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . 0.587 ' HB3' ' HB3' ' A' ' 591' ' ' GLU . . . -60.54 157.54 14.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.062 179.004 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -77.07 171.02 15.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.103 175.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . 0.877 ' HD3' ' H ' ' A' ' 589' ' ' LYS . 0.0 OUTLIER -56.47 -46.43 80.41 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.363 -176.475 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 590' ' ' ASP . . . . . 0.448 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 5.4 p-10 -66.33 -23.6 66.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.939 -175.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . 0.627 ' HG3' ' CZ2' ' A' ' 580' ' ' TRP . 7.9 tp10 -65.2 -46.21 81.62 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 178.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 592' ' ' PHE . . . . . 0.661 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 94.0 m-85 -68.72 -40.38 79.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.138 177.005 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . 0.448 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 5.8 mm-40 -59.87 -44.97 93.87 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.877 -179.29 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -67.65 -39.88 84.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.505 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . 0.589 ' HG2' HG22 ' A' ' 577' ' ' VAL . 8.4 tppt? -62.87 -35.04 78.69 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.149 0.5 . . . . 0.0 109.96 178.023 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 596' ' ' ARG . . . . . 0.482 ' O ' ' HG3' ' A' ' 600' ' ' GLU . 4.2 ttp85 -60.6 -42.89 97.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.948 178.053 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . 0.523 ' O ' ' HG2' ' A' ' 601' ' ' GLN . 26.7 mmmt -62.52 -41.88 99.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.382 176.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . 0.466 ' HB3' ' HZ3' ' A' ' 573' ' ' LYS . 51.0 mt-10 -59.46 -51.37 70.16 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.714 0.769 . . . . 0.0 110.541 177.427 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.631 ' O ' HG11 ' A' ' 602' ' ' VAL . 2.1 tm? -59.68 -41.56 90.98 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.633 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . 0.546 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 38.6 mt-10 -56.17 -46.75 79.22 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.027 176.008 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 601' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 597' ' ' LYS . 24.6 mm-40 -61.48 -30.36 70.55 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -178.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . 0.631 HG11 ' O ' ' A' ' 599' ' ' LEU . 0.8 OUTLIER -76.39 -41.62 35.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 120.203 -0.599 . . . . 0.0 111.273 178.176 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 603' ' ' CYS . . . . . 0.636 ' HB2' HD13 ' A' ' 607' ' ' ILE . 24.5 p -82.84 -26.54 31.56 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 111.538 0.199 . . . . 0.0 111.538 -177.138 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 604' ' ' ASN . . . . . 0.591 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 21.0 t30 -49.48 -53.29 42.02 Favored Pre-proline 0 N--CA 1.472 0.659 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -177.037 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 605' ' ' PRO . . . . . 0.591 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 52.9 Cg_exo -59.87 -22.96 70.66 Favored 'Trans proline' 0 C--N 1.357 0.985 0 C-N-CA 122.257 1.972 . . . . 0.0 112.285 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 606' ' ' ILE . . . . . 0.732 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -91.76 -40.87 12.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.316 -178.218 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 607' ' ' ILE . . . . . 0.636 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -67.07 -32.25 57.02 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.932 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 3.7 p -70.42 -18.46 63.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.968 0.413 . . . . 0.0 110.743 177.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -97.48 -4.06 58.35 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 111.605 -0.598 . . . . 0.0 111.605 175.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 610' ' ' LEU . . . . . 0.665 HD23 HD23 ' A' ' 558' ' ' LEU . 68.3 mt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.372 -0.823 . . . . 0.0 110.031 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 537' ' ' SER . . . . . 0.455 ' HB3' ' CG ' ' A' ' 540' ' ' ASN . 41.3 t . . . . . 0 N--CA 1.478 0.933 0 CA-C-O 120.823 0.344 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.557 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . -69.13 -27.92 66.0 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.1 177.018 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 13.0 tmtt? -64.46 -47.19 79.94 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 174.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 540' ' ' ASN . . . . . 0.455 ' CG ' ' HB3' ' A' ' 537' ' ' SER . 13.9 m-20 -58.54 -47.94 82.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.724 177.32 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -61.65 -46.17 90.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 178.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.786 ' HB3' HD23 ' A' ' 581' ' ' LEU . 0.2 OUTLIER -61.7 -48.15 82.06 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.642 -176.841 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . 0.701 ' HG3' HD12 ' A' ' 581' ' ' LEU . 11.3 tt0 -68.69 -39.98 80.27 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.351 -176.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 23.6 m -64.76 -40.56 95.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.156 176.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . 0.513 ' O ' ' HG2' ' A' ' 549' ' ' MET . 2.4 t80 -61.59 -48.99 78.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.822 178.609 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.2 -43.25 92.18 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.423 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -58.62 -42.47 88.29 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.676 175.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -59.63 -49.87 76.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.391 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 549' ' ' MET . . . . . 0.513 ' HG2' ' O ' ' A' ' 545' ' ' TYR . 19.3 mmt -65.68 -44.02 87.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.228 0.537 . . . . 0.0 110.155 -178.457 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . 0.702 ' HG3' HD22 ' A' ' 571' ' ' LEU . 4.7 ttmm -60.15 -46.06 90.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.748 177.07 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 13.4 t -65.97 -37.01 84.88 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 178.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -65.59 -46.0 81.04 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -177.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 553' ' ' VAL . . . . . 0.656 HG13 HG13 ' A' ' 570' ' ' VAL . 34.4 m -75.84 -32.01 23.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.714 0.768 . . . . 0.0 111.096 -178.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 554' ' ' GLU . . . . . 0.607 ' HB2' ' O ' ' A' ' 550' ' ' LYS . 1.0 OUTLIER -89.2 4.71 47.73 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.954 178.525 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 555' ' ' ASP . . . . . 0.588 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 18.1 t70 -69.39 135.91 50.94 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.263 178.283 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -69.84 -10.09 57.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.256 -176.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -101.48 -32.03 5.31 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.68 -0.771 . . . . 0.0 111.364 176.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . 0.707 ' HA ' ' HG3' ' A' ' 561' ' ' LYS . 15.7 mt -87.49 -3.5 59.0 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 179.024 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -69.06 130.21 42.11 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 174.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 95.88 -28.28 13.19 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.7 -0.762 . . . . 0.0 111.745 -173.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . 0.707 ' HG3' ' HA ' ' A' ' 558' ' ' LEU . 60.2 mmtt -69.57 -41.22 76.12 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 175.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . 0.632 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.6 tt -106.22 149.26 9.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.961 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 15.0 m -74.17 148.79 41.37 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.18 -40.14 70.35 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.628 -175.108 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -59.01 -43.48 91.56 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -178.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 566' ' ' ASP . . . . . 0.506 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 26.5 m-20 -68.63 -46.89 68.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.95 0.405 . . . . 0.0 109.922 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.457 ' NZ ' ' HA ' ' A' ' 554' ' ' GLU . 26.6 tttp -53.97 -48.02 70.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.661 175.376 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -65.07 -46.47 81.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.941 -178.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 569' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 0.0 OUTLIER -64.42 -44.94 89.62 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 121.145 -0.222 . . . . 0.0 110.458 -175.634 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 570' ' ' VAL . . . . . 0.656 HG13 HG13 ' A' ' 553' ' ' VAL . 12.0 p -70.43 -42.16 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.012 -177.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . 0.702 HD22 ' HG3' ' A' ' 550' ' ' LYS . 30.6 mt -57.39 -48.6 78.65 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.087 0.47 . . . . 0.0 110.23 177.104 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -61.55 -45.54 93.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.615 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 573' ' ' LYS . . . . . 0.68 ' CG ' HG12 ' A' ' 602' ' ' VAL . 49.1 tptt -65.48 -41.38 93.37 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.752 179.464 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 574' ' ' CYS . . . . . 0.455 ' SG ' HD23 ' A' ' 599' ' ' LEU . 68.7 m -59.3 -39.23 82.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.449 175.453 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -65.4 -36.69 84.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.934 176.639 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.9 -56.35 22.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.973 0.416 . . . . 0.0 110.374 177.228 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 577' ' ' VAL . . . . . 0.613 HG22 HD13 ' A' ' 542' ' ' LEU . 1.4 p -66.27 -41.01 88.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.474 -178.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 578' ' ' ILE . . . . . . . . . . . . . 17.9 mt -60.91 -38.7 79.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.75 0.309 . . . . 0.0 111.02 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 29.1 t -68.46 -36.38 78.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.089 0.471 . . . . 0.0 110.201 174.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 82.9 t90 -69.64 -36.57 76.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.923 179.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 581' ' ' LEU . . . . . 0.786 HD23 ' HB3' ' A' ' 542' ' ' LEU . 48.7 mt -61.0 -47.21 87.53 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.914 178.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -68.7 -21.32 64.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.491 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -93.0 -31.35 14.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.781 -178.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -122.5 58.89 1.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -178.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 40.0 p -72.93 -12.82 61.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.868 0.842 . . . . 0.0 109.298 174.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . 0.408 HD22 ' N ' ' A' ' 586' ' ' LEU . 1.9 mm? -93.94 0.02 55.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.335 -1.302 . . . . 0.0 110.432 -176.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . 0.424 ' HB3' ' HB2' ' A' ' 591' ' ' GLU . . . -66.71 153.34 43.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.733 -179.207 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -77.84 168.13 20.41 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.249 177.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -56.78 -46.15 81.68 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.912 0.387 . . . . 0.0 111.569 -174.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 590' ' ' ASP . . . . . 0.446 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 10.6 p-10 -67.39 -25.41 65.94 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.142 -177.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . 0.424 ' HB2' ' HB3' ' A' ' 587' ' ' ALA . 36.2 mm-40 -61.51 -47.03 87.46 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 174.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 592' ' ' PHE . . . . . 0.65 ' O ' HD23 ' A' ' 542' ' ' LEU . 98.5 m-85 -64.91 -44.93 87.94 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.03 176.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . 0.446 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 10.8 mm-40 -58.42 -38.07 76.67 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.803 0.335 . . . . 0.0 111.347 -176.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.68 -36.31 70.56 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 175.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . 0.411 ' HD3' ' HA ' ' A' ' 595' ' ' LYS . 14.1 tppt? -64.35 -37.22 86.75 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 121.105 0.479 . . . . 0.0 109.82 174.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 596' ' ' ARG . . . . . 0.586 ' HB2' HD23 ' A' ' 542' ' ' LEU . 39.0 ttp85 -59.46 -38.99 82.18 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.12 177.126 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . 0.639 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 59.8 mmtt -67.01 -39.77 87.15 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.726 177.085 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . 0.571 ' HB3' ' HZ3' ' A' ' 573' ' ' LYS . 39.3 mt-10 -60.21 -53.3 59.34 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.43 0.634 . . . . 0.0 110.475 175.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.691 ' O ' HG11 ' A' ' 602' ' ' VAL . 2.1 tm? -61.71 -40.47 95.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.131 -0.941 . . . . 0.0 109.148 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . 0.449 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 31.8 tt0 -55.4 -46.39 76.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.828 177.108 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 601' ' ' GLN . . . . . 0.639 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 75.3 mt-30 -67.16 -29.99 69.84 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.291 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . 0.691 HG11 ' O ' ' A' ' 599' ' ' LEU . 1.4 p -76.07 -40.55 37.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.76 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 603' ' ' CYS . . . . . 0.591 ' HB2' HD13 ' A' ' 607' ' ' ILE . 20.0 p -82.96 -26.37 31.42 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.375 -178.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 604' ' ' ASN . . . . . 0.608 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 40.0 t30 -49.51 -52.39 50.39 Favored Pre-proline 0 CA--C 1.541 0.621 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -176.596 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 605' ' ' PRO . . . . . 0.608 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 49.2 Cg_exo -60.63 -25.83 81.65 Favored 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 122.323 2.015 . . . . 0.0 112.307 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 606' ' ' ILE . . . . . 0.632 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -89.58 -41.15 13.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.288 -177.289 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 607' ' ' ILE . . . . . 0.591 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.2 mp -68.56 -33.6 60.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.843 -179.449 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 8.4 p -70.23 -9.87 57.19 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.842 0.354 . . . . 0.0 110.789 177.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -112.15 7.56 27.05 Favored Glycine 0 N--CA 1.45 -0.418 0 N-CA-C 111.505 -0.638 . . . . 0.0 111.505 175.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 610' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 606' ' ' ILE . 58.7 mt . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.503 -0.76 . . . . 0.0 110.194 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.476 0.853 0 CA-C-O 120.616 0.246 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.501 ' O ' ' HB2' ' A' ' 542' ' ' LEU . . . -61.34 -26.52 67.87 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.066 -179.027 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . 0.445 ' HE2' ' HB3' ' A' ' 581' ' ' LEU . 13.4 tmtt? -60.86 -41.12 95.26 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 179.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -68.05 -47.07 69.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.703 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -62.61 -39.84 95.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.735 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.633 ' HB3' HD23 ' A' ' 581' ' ' LEU . 0.2 OUTLIER -66.73 -47.32 72.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.011 -177.257 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . 0.544 ' HG3' HD12 ' A' ' 581' ' ' LEU . 4.9 tt0 -62.66 -48.1 80.81 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.26 -45.8 83.68 Favored 'General case' 0 C--O 1.213 -0.827 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.506 177.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . 0.442 ' CD1' HD13 ' A' ' 599' ' ' LEU . 3.5 t80 -59.49 -47.27 86.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 110.086 -176.303 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.63 -41.51 92.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.284 178.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -58.94 -43.62 91.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.311 174.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -59.74 -49.36 78.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.312 -178.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 549' ' ' MET . . . . . 0.497 ' HE3' ' HA ' ' A' ' 549' ' ' MET . 19.5 mmt -66.07 -44.59 84.07 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 121.279 0.561 . . . . 0.0 110.212 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . 0.587 ' HG3' HD22 ' A' ' 571' ' ' LEU . 3.5 ttmm -57.87 -45.93 85.59 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.268 177.166 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 16.4 t -66.84 -36.14 81.66 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.88 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -62.73 -45.78 91.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.527 -177.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 553' ' ' VAL . . . . . 0.766 HG13 HG13 ' A' ' 570' ' ' VAL . 33.2 m -76.63 -35.68 26.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.431 0.634 . . . . 0.0 111.362 -178.223 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 554' ' ' GLU . . . . . 0.626 ' HG2' HD12 ' A' ' 571' ' ' LEU . 0.2 OUTLIER -85.6 4.43 36.25 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.811 179.47 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 555' ' ' ASP . . . . . 0.457 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 12.8 t70 -69.23 136.78 52.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.559 172.082 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 556' ' ' GLU . . . . . 0.856 ' HA ' ' HD2' ' A' ' 559' ' ' LYS . 63.7 mm-40 -69.79 -10.93 60.26 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -173.233 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -101.61 -37.23 3.54 Favored Glycine 0 N--CA 1.441 -0.995 0 C-N-CA 119.766 -1.207 . . . . 0.0 111.119 176.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . 0.922 HD22 ' HD2' ' A' ' 561' ' ' LYS . 15.7 mt -80.48 -14.47 58.24 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.817 0.341 . . . . 0.0 111.232 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . 0.856 ' HD2' ' HA ' ' A' ' 556' ' ' GLU . 15.4 ptmt -64.61 -22.6 67.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 178.635 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . -98.19 3.83 60.24 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.631 175.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . 0.922 ' HD2' HD22 ' A' ' 558' ' ' LEU . 78.3 mttt -104.94 -29.09 10.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.333 0.587 . . . . 0.0 110.461 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . 0.829 ' HB ' HD21 ' A' ' 610' ' ' LEU . 5.5 tt -106.22 153.49 7.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.175 179.005 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 563' ' ' SER . . . . . 0.416 ' HB3' ' OD2' ' A' ' 566' ' ' ASP . 42.0 t -76.68 146.69 37.93 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 175.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -56.03 -38.91 71.18 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.978 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -58.99 -43.03 91.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.024 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 566' ' ' ASP . . . . . 0.558 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 20.7 m-20 -70.47 -46.94 62.81 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 179.107 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.611 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 83.8 tttt -54.66 -48.8 71.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.005 177.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -62.6 -47.17 84.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.294 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 569' ' ' LYS . . . . . 0.558 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 19.1 pttt -66.29 -43.44 86.36 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.607 -173.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 570' ' ' VAL . . . . . 0.766 HG13 HG13 ' A' ' 553' ' ' VAL . 12.6 p -70.07 -40.48 78.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.883 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . 0.626 HD12 ' HG2' ' A' ' 554' ' ' GLU . 31.7 mt -60.14 -46.11 90.76 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.652 0.263 . . . . 0.0 110.688 177.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -64.64 -45.44 86.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.203 0.525 . . . . 0.0 109.777 -179.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 573' ' ' LYS . . . . . 0.66 ' CG ' HG12 ' A' ' 602' ' ' VAL . 51.2 tptt -62.09 -41.01 97.75 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.854 177.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 574' ' ' CYS . . . . . 0.458 ' HG ' HG22 ' A' ' 570' ' ' VAL . 98.1 m -63.52 -39.56 94.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.704 177.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -63.47 -39.09 93.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.532 174.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 576' ' ' GLU . . . . . 0.416 ' HB3' ' O ' ' A' ' 573' ' ' LYS . 3.4 tt0 -58.87 -55.62 32.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.789 178.557 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 577' ' ' VAL . . . . . 0.59 HG12 ' O ' ' A' ' 573' ' ' LYS . 1.5 p -66.11 -41.48 89.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.45 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 578' ' ' ILE . . . . . 0.626 ' HA ' HD13 ' A' ' 581' ' ' LEU . 15.8 mt -61.07 -39.46 82.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.534 0.207 . . . . 0.0 111.415 -179.052 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 16.9 t -70.16 -34.82 73.49 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 175.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 82.7 t90 -67.09 -35.53 80.0 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.694 179.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 581' ' ' LEU . . . . . 0.633 HD23 ' HB3' ' A' ' 542' ' ' LEU . 31.6 mt -63.74 -48.1 78.39 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.333 178.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -68.86 -27.11 65.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.572 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -86.6 -32.21 20.75 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.858 -176.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -113.86 58.97 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.132 0.492 . . . . 0.0 111.009 -177.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 69.4 p -73.73 -12.44 60.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.943 0.878 . . . . 0.0 109.181 174.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . 0.439 HD22 ' N ' ' A' ' 586' ' ' LEU . 2.0 mm? -90.16 5.07 48.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.432 -1.258 . . . . 0.0 110.238 -179.278 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . 0.468 ' HB3' ' HB2' ' A' ' 591' ' ' GLU . . . -74.51 161.54 29.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.766 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -90.07 167.83 12.45 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 175.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -60.28 -39.19 86.02 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.682 0.753 . . . . 0.0 109.801 -175.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 590' ' ' ASP . . . . . 0.419 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 4.8 m-20 -61.78 -30.65 70.94 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.503 -1.226 . . . . 0.0 111.896 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . 0.468 ' HB2' ' HB3' ' A' ' 587' ' ' ALA . 12.1 mm-40 -63.83 -42.97 97.52 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.438 0.637 . . . . 0.0 109.314 178.276 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 592' ' ' PHE . . . . . 0.443 ' O ' HD23 ' A' ' 542' ' ' LEU . 87.8 m-85 -66.15 -41.12 90.85 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.549 175.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . 0.454 ' HA ' ' OE1' ' A' ' 593' ' ' GLU . 5.0 mm-40 -59.51 -38.84 81.98 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.647 -179.14 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . 0.465 ' O ' ' HG3' ' A' ' 598' ' ' GLU . 29.1 m170 -68.53 -42.7 78.11 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 176.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . 0.568 ' HG2' HG22 ' A' ' 577' ' ' VAL . 11.4 tppt? -64.13 -35.53 81.08 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.212 179.288 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 596' ' ' ARG . . . . . 0.46 ' HB2' HD23 ' A' ' 542' ' ' LEU . 12.7 ttp85 -60.14 -37.23 79.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.407 176.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . 0.54 ' O ' ' HG2' ' A' ' 601' ' ' GLN . 43.8 mmtm -66.53 -46.36 76.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.385 173.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 594' ' ' HIS . 53.1 mt-10 -59.41 -55.82 29.79 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.555 0.693 . . . . 0.0 111.332 -177.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.682 ' O ' HG11 ' A' ' 602' ' ' VAL . 2.6 tm? -59.07 -40.77 86.21 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.515 -179.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . 0.622 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 36.5 tt0 -59.79 -41.76 91.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.777 177.627 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 601' ' ' GLN . . . . . 0.54 ' HG2' ' O ' ' A' ' 597' ' ' LYS . 26.4 mm-40 -62.98 -30.94 71.98 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 179.144 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . 0.682 HG11 ' O ' ' A' ' 599' ' ' LEU . 1.4 p -75.42 -40.4 42.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.928 178.163 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 603' ' ' CYS . . . . . 0.63 ' HA ' HD11 ' A' ' 606' ' ' ILE . 24.1 p -82.96 -27.08 30.75 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -177.522 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 604' ' ' ASN . . . . . 0.6 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 20.9 t30 -49.58 -54.02 35.16 Favored Pre-proline 0 N--CA 1.471 0.622 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -176.249 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 605' ' ' PRO . . . . . 0.6 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 47.3 Cg_exo -60.7 -24.22 78.13 Favored 'Trans proline' 0 C--N 1.356 0.93 0 C-N-CA 122.056 1.837 . . . . 0.0 112.324 179.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 606' ' ' ILE . . . . . 0.693 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -87.67 -40.83 14.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.888 -179.509 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 607' ' ' ILE . . . . . 0.615 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.4 mp -66.02 -27.72 41.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.673 177.251 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 33.4 t -65.03 -13.06 56.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.681 176.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -120.84 5.88 11.34 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.082 176.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 610' ' ' LEU . . . . . 0.829 HD21 ' HB ' ' A' ' 562' ' ' ILE . 68.4 mt . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.551 -179.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 35.6 m . . . . . 0 N--CA 1.476 0.867 0 CA-C-O 120.601 0.238 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . . . . . . . . . . . -61.54 -17.28 54.15 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.378 -177.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . 0.7 ' HG2' HD22 ' A' ' 581' ' ' LEU . 10.0 tmtt? -66.99 -39.79 87.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.757 0.313 . . . . 0.0 110.741 -177.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -64.42 -45.78 86.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.192 178.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 541' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' A' ' 545' ' ' TYR . . . -59.97 -45.25 93.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.626 176.418 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.741 ' HB3' HD23 ' A' ' 581' ' ' LEU . 0.2 OUTLIER -66.87 -48.45 68.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.847 -175.237 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . 0.705 ' HG3' HD12 ' A' ' 581' ' ' LEU . 17.5 tt0 -68.67 -41.04 79.81 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 -176.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 36.0 m -65.83 -35.49 80.81 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.241 176.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . 0.462 ' OH ' ' HG2' ' A' ' 600' ' ' GLU . 3.2 t80 -62.62 -49.44 75.18 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 177.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -66.18 -42.0 89.48 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.568 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.418 ' CD1' HD13 ' A' ' 578' ' ' ILE . 2.2 m-85 -57.54 -41.85 81.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.428 174.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 51.3 m-20 -60.45 -50.16 74.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.914 -179.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 549' ' ' MET . . . . . 0.463 ' HE3' ' HA ' ' A' ' 549' ' ' MET . 18.2 mmt -66.94 -43.18 83.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.339 0.59 . . . . 0.0 110.016 -178.437 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . 0.544 ' HG3' HD22 ' A' ' 571' ' ' LEU . 3.4 ttmm -58.84 -48.55 80.93 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.285 176.41 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 5.3 t -65.85 -35.51 80.88 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.514 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -64.24 -45.94 85.97 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.987 0.365 . . . . 0.0 111.987 -178.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 553' ' ' VAL . . . . . 0.634 HG13 HG13 ' A' ' 570' ' ' VAL . 33.8 m -76.71 -32.83 21.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.391 0.615 . . . . 0.0 111.286 -179.261 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 554' ' ' GLU . . . . . 0.529 ' HG2' HD12 ' A' ' 571' ' ' LEU . 1.2 mm-40 -89.36 4.48 48.81 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.766 178.452 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 555' ' ' ASP . . . . . 0.613 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 18.1 t70 -65.12 137.58 57.75 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.557 177.137 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -71.62 -13.06 61.65 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.29 -177.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -101.98 -23.36 9.26 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 119.94 -1.124 . . . . 0.0 111.602 178.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . 0.613 ' HB2' ' HB3' ' A' ' 555' ' ' ASP . 13.8 mt -93.06 -2.73 55.29 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.781 0.324 . . . . 0.0 111.279 177.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -68.67 120.8 15.23 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 174.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 109.25 -33.65 6.0 Favored Glycine 0 N--CA 1.448 -0.52 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 -172.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . 0.502 ' HG3' HD22 ' A' ' 558' ' ' LEU . 27.4 mmtt -65.87 -45.9 80.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.323 0.582 . . . . 0.0 110.851 176.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . 0.684 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.3 tt -105.66 147.37 11.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.355 -0.838 . . . . 0.0 110.157 -176.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 563' ' ' SER . . . . . 0.402 ' HB3' ' OD2' ' A' ' 566' ' ' ASP . 33.0 t -72.61 147.95 45.33 Favored 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 176.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -61.35 -31.37 71.25 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.58 -175.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -61.94 -43.62 98.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 123.211 0.319 . . . . 0.0 111.018 177.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 566' ' ' ASP . . . . . 0.436 ' HB3' ' HB ' ' A' ' 606' ' ' ILE . 13.4 m-20 -68.01 -46.52 71.0 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.53 0.681 . . . . 0.0 109.28 178.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 26.2 tttp -54.24 -48.72 70.8 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.624 -1.171 . . . . 0.0 111.161 175.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -63.3 -47.77 80.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.523 -178.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 569' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 17.8 ptmt -63.79 -44.57 92.95 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.208 -174.418 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 570' ' ' VAL . . . . . 0.634 HG13 HG13 ' A' ' 553' ' ' VAL . 11.1 p -70.5 -41.36 78.1 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.284 -179.094 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . 0.544 HD22 ' HG3' ' A' ' 550' ' ' LYS . 36.1 mt -60.29 -46.18 90.77 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.971 0.415 . . . . 0.0 110.353 177.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -60.29 -47.52 85.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.711 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 573' ' ' LYS . . . . . 0.672 ' CG ' HG12 ' A' ' 602' ' ' VAL . 50.1 tptt -66.21 -39.54 89.69 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.063 179.049 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 574' ' ' CYS . . . . . 0.472 ' HG ' HG22 ' A' ' 570' ' ' VAL . 97.9 m -62.23 -37.85 86.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.164 0.507 . . . . 0.0 110.09 176.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -65.79 -36.58 83.93 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.275 175.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -59.0 -56.07 27.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.586 176.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 577' ' ' VAL . . . . . 0.608 HG22 ' HG2' ' A' ' 595' ' ' LYS . 1.0 OUTLIER -65.05 -43.45 95.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.309 -179.284 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 578' ' ' ILE . . . . . 0.418 HD13 ' CD1' ' A' ' 547' ' ' PHE . 20.9 mt -61.35 -38.23 79.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -179.071 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 31.3 t -70.77 -33.51 70.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.171 0.51 . . . . 0.0 109.886 176.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 79.2 t90 -69.7 -38.55 76.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.654 178.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 581' ' ' LEU . . . . . 0.741 HD23 ' HB3' ' A' ' 542' ' ' LEU . 34.6 mt -60.93 -42.65 98.58 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.895 177.356 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -66.98 -30.85 71.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.155 -0.929 . . . . 0.0 110.327 178.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -84.38 -31.84 24.51 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.48 -177.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . 0.483 ' O ' ' HB1' ' A' ' 587' ' ' ALA . 86.6 m-20 -124.1 55.18 1.3 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.473 -178.377 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -66.58 -19.15 65.71 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.833 178.254 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -104.53 7.22 35.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.192 -175.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . 0.483 ' HB1' ' O ' ' A' ' 584' ' ' ASN . . . -57.02 158.38 5.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.666 -179.109 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -80.03 163.32 24.29 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.615 177.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -56.7 -45.84 81.58 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -170.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 590' ' ' ASP . . . . . 0.594 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 3.6 p30 -63.17 -27.03 69.09 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -178.078 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -61.48 -48.4 81.26 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 175.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 592' ' ' PHE . . . . . 0.549 ' O ' HD23 ' A' ' 542' ' ' LEU . 92.9 m-85 -66.88 -42.92 84.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.069 176.177 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . 0.594 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 10.0 mm-40 -59.69 -40.61 88.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.846 -176.349 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 27.9 m80 -67.38 -39.59 85.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.846 0.355 . . . . 0.0 110.345 175.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . 0.608 ' HG2' HG22 ' A' ' 577' ' ' VAL . 0.3 OUTLIER -62.55 -37.33 85.7 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.251 177.301 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 596' ' ' ARG . . . . . 0.659 ' O ' ' HG3' ' A' ' 600' ' ' GLU . 31.0 ttp85 -60.01 -47.42 85.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.951 178.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . 0.581 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 25.6 mmmt -58.3 -44.62 88.65 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.756 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.28 -50.87 71.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.379 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.629 ' O ' HG11 ' A' ' 602' ' ' VAL . 2.3 tm? -59.5 -41.7 90.46 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.72 -178.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . 0.659 ' HG3' ' O ' ' A' ' 596' ' ' ARG . 50.5 mt-10 -59.4 -38.74 81.33 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.012 177.666 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 601' ' ' GLN . . . . . 0.581 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 74.0 mt-30 -63.86 -37.24 86.66 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.625 0.232 . . . . 0.0 111.625 178.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . 0.672 HG12 ' CG ' ' A' ' 573' ' ' LYS . 1.7 p -73.92 -39.26 51.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.16 -177.182 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 603' ' ' CYS . . . . . 0.637 ' HB2' HD13 ' A' ' 607' ' ' ILE . 21.6 p -83.18 -25.96 31.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.599 -178.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 604' ' ' ASN . . . . . 0.604 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 17.2 t30 -49.19 -54.73 26.35 Favored Pre-proline 0 N--CA 1.475 0.796 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -176.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 605' ' ' PRO . . . . . 0.604 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 50.9 Cg_exo -58.95 -25.65 78.22 Favored 'Trans proline' 0 C--N 1.358 1.039 0 C-N-CA 122.152 1.901 . . . . 0.0 112.488 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 606' ' ' ILE . . . . . 0.684 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -89.42 -41.05 13.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.217 -177.444 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 607' ' ' ILE . . . . . 0.637 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.2 mp -68.38 -30.58 48.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 C-N-CA 123.131 0.572 . . . . 0.0 111.394 -177.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 4.6 t -64.54 -22.24 66.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.608 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -114.68 22.76 12.65 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.196 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 610' ' ' LEU . . . . . 0.545 HD21 ' HB ' ' A' ' 562' ' ' ILE . 33.9 mt . . . . . 0 C--O 1.251 1.155 0 CA-C-O 118.417 -0.802 . . . . 0.0 110.641 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 43.0 p . . . . . 0 N--CA 1.477 0.898 0 N-CA-C 110.605 -0.146 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.584 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . -59.86 -31.3 69.64 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.937 0.398 . . . . 0.0 110.108 176.291 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . 0.884 ' HZ2' ' HB3' ' A' ' 581' ' ' LEU . 3.3 tmtm? -56.53 -47.8 78.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.377 174.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -63.68 -47.03 82.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.829 -178.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 541' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 545' ' ' TYR . . . -58.68 -42.26 88.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.763 178.317 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.659 HD23 ' O ' ' A' ' 592' ' ' PHE . 0.5 OUTLIER -65.52 -47.09 77.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.052 -177.305 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . 0.928 ' HG3' HD12 ' A' ' 581' ' ' LEU . 5.2 tt0 -65.48 -47.43 76.1 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.204 -177.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 21.0 t -57.24 -43.7 83.18 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.723 176.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . 0.525 ' CD1' HD13 ' A' ' 599' ' ' LEU . 3.2 t80 -62.96 -48.6 78.17 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.15 0.5 . . . . 0.0 109.861 -177.248 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -64.85 -42.44 94.89 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.296 179.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.464 ' CD1' HD13 ' A' ' 578' ' ' ILE . 3.1 m-85 -57.85 -42.1 83.77 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.433 174.227 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -59.76 -50.27 74.48 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.559 -178.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 549' ' ' MET . . . . . 0.446 ' HG3' ' CD1' ' A' ' 599' ' ' LEU . 22.3 mmt -67.14 -43.55 82.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.299 0.571 . . . . 0.0 110.506 -179.231 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . 0.617 ' HG3' HD22 ' A' ' 571' ' ' LEU . 4.7 ttmm -58.76 -47.42 84.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.815 177.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 7.6 t -66.34 -35.75 81.14 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.006 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -63.67 -46.3 86.21 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -177.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 553' ' ' VAL . . . . . 0.702 HG13 HG13 ' A' ' 570' ' ' VAL . 32.8 m -76.25 -31.81 21.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.639 0.733 . . . . 0.0 111.237 -178.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 554' ' ' GLU . . . . . 0.553 ' HB2' ' O ' ' A' ' 550' ' ' LYS . 1.3 mm-40 -89.23 3.9 50.45 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.701 178.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 555' ' ' ASP . . . . . 0.525 ' O ' ' HG2' ' A' ' 559' ' ' LYS . 34.1 t70 -67.15 140.17 57.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.052 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 556' ' ' GLU . . . . . 0.45 ' HA ' ' HD3' ' A' ' 559' ' ' LYS . 5.4 pt-20 -69.48 -11.78 61.11 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.305 -0.861 . . . . 0.0 112.555 -175.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -101.79 -19.75 14.62 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.153 177.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . 0.511 HD22 ' HG3' ' A' ' 561' ' ' LYS . 12.7 mt -101.87 5.09 40.83 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -177.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 555' ' ' ASP . 12.3 mmmt -48.4 -46.91 37.88 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 123.452 0.701 . . . . 0.0 112.835 -172.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . -102.23 -2.93 51.24 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.228 -178.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . 0.511 ' HG3' HD22 ' A' ' 558' ' ' LEU . 58.6 mmtt -69.75 -37.79 76.57 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.939 0.4 . . . . 0.0 111.114 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . 0.751 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.9 tt -106.26 155.52 7.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.168 -179.282 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 563' ' ' SER . . . . . 0.477 ' HB2' ' OD2' ' A' ' 566' ' ' ASP . 4.8 m -74.24 149.79 40.62 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 178.056 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -56.57 -43.01 79.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.767 0.318 . . . . 0.0 110.435 -178.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -59.78 -43.7 94.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.776 -177.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 566' ' ' ASP . . . . . 0.644 ' HB3' ' HB ' ' A' ' 606' ' ' ILE . 22.4 m-20 -66.84 -47.13 72.92 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 121.197 0.522 . . . . 0.0 109.84 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.434 ' NZ ' ' HA ' ' A' ' 554' ' ' GLU . 30.0 tttp -54.43 -48.56 71.52 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.97 -1.013 . . . . 0.0 111.118 175.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -65.02 -46.71 80.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.581 -177.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 569' ' ' LYS . . . . . 0.574 ' HZ2' ' HB2' ' A' ' 569' ' ' LYS . 0.0 OUTLIER -63.35 -44.21 95.48 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.343 -174.38 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 570' ' ' VAL . . . . . 0.702 HG13 HG13 ' A' ' 553' ' ' VAL . 11.5 p -70.48 -43.52 77.9 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.055 -178.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . 0.617 HD22 ' HG3' ' A' ' 550' ' ' LYS . 35.7 mt -57.36 -48.19 79.65 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.741 0.305 . . . . 0.0 110.633 178.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -66.03 -40.77 91.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.339 -176.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 573' ' ' LYS . . . . . 0.652 ' CG ' HG12 ' A' ' 602' ' ' VAL . 47.4 tptt -68.65 -38.71 80.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.8 177.239 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 574' ' ' CYS . . . . . 0.45 ' SG ' HD23 ' A' ' 599' ' ' LEU . 66.0 m -61.33 -40.14 93.12 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.043 0.449 . . . . 0.0 110.068 176.215 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -67.31 -35.73 80.03 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.232 175.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 576' ' ' GLU . . . . . 0.404 ' HB3' ' O ' ' A' ' 573' ' ' LYS . 0.1 OUTLIER -58.2 -55.02 40.36 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.302 176.712 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 577' ' ' VAL . . . . . 0.617 HG21 HD13 ' A' ' 542' ' ' LEU . 1.2 p -66.38 -40.12 85.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.275 179.08 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 578' ' ' ILE . . . . . 0.601 ' HA ' HD13 ' A' ' 581' ' ' LEU . 23.0 mt -61.82 -40.8 88.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.678 0.275 . . . . 0.0 111.293 179.148 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 32.6 t -71.73 -32.28 67.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.932 0.396 . . . . 0.0 110.225 175.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 56.5 t90 -67.57 -37.86 83.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.428 0.632 . . . . 0.0 109.385 177.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 581' ' ' LEU . . . . . 0.928 HD12 ' HG3' ' A' ' 543' ' ' GLU . 17.7 mt -60.53 -46.4 90.32 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.722 176.071 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -62.76 -31.23 72.15 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.476 178.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -85.8 -31.32 22.39 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.968 -1.014 . . . . 0.0 111.997 -175.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -128.47 65.75 1.4 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.518 -174.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 25.5 p -77.47 -12.22 59.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.967 0.889 . . . . 0.0 109.074 171.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -87.06 -4.71 59.18 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.011 -1.45 . . . . 0.0 110.087 -178.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . 0.408 ' HB3' ' HB2' ' A' ' 591' ' ' GLU . . . -66.43 154.68 39.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.859 -178.544 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -87.58 169.01 12.54 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.291 175.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -55.71 -43.37 76.45 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -171.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 590' ' ' ASP . . . . . 0.703 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 15.1 t70 -62.99 -28.23 69.95 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -176.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . 0.408 ' HB2' ' HB3' ' A' ' 587' ' ' ALA . 10.1 mm-40 -61.3 -44.79 96.62 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.36 0.6 . . . . 0.0 109.462 174.113 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 592' ' ' PHE . . . . . 0.659 ' O ' HD23 ' A' ' 542' ' ' LEU . 77.3 m-85 -70.42 -41.16 73.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.733 176.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . 0.703 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 34.6 mm-40 -58.48 -44.94 89.52 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.32 -177.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 10.3 m80 -69.34 -36.28 76.76 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.831 176.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . 0.457 ' HD3' ' HA ' ' A' ' 595' ' ' LYS . 6.3 tppt? -64.41 -36.58 84.61 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.148 0.499 . . . . 0.0 110.224 177.288 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 596' ' ' ARG . . . . . 0.606 ' HB2' HD23 ' A' ' 542' ' ' LEU . 54.3 ttp85 -60.69 -38.61 85.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.369 176.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . 0.666 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 71.7 mmtt -67.4 -45.06 77.27 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.655 176.183 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -59.47 -52.07 67.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.426 0.632 . . . . 0.0 111.128 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.705 ' O ' HG11 ' A' ' 602' ' ' VAL . 2.4 tm? -60.36 -39.76 88.32 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.584 -179.4 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . 0.578 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 39.6 tt0 -60.56 -39.04 86.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.18 177.335 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 601' ' ' GLN . . . . . 0.666 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 69.2 mt-30 -68.8 -32.2 71.75 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 179.258 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . 0.705 HG11 ' O ' ' A' ' 599' ' ' LEU . 2.5 p -75.48 -37.32 37.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.261 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 603' ' ' CYS . . . . . 0.657 ' HB2' HD13 ' A' ' 607' ' ' ILE . 27.4 p -83.08 -26.37 31.15 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.64 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 604' ' ' ASN . . . . . 0.609 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 26.2 t30 -49.9 -53.05 46.61 Favored Pre-proline 0 N--CA 1.474 0.741 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 -175.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 605' ' ' PRO . . . . . 0.609 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 51.5 Cg_exo -58.98 -27.11 83.97 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 122.206 1.938 . . . . 0.0 112.074 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 606' ' ' ILE . . . . . 0.751 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -87.33 -41.58 14.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.315 -177.857 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 607' ' ' ILE . . . . . 0.657 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -67.24 -34.36 68.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 C-N-CA 122.975 0.51 . . . . 0.0 111.005 -178.455 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 7.9 p -69.46 -17.54 63.64 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.88 0.372 . . . . 0.0 110.99 178.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -106.31 13.23 43.96 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.027 -0.606 . . . . 0.0 111.768 176.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 610' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 606' ' ' ILE . 36.6 mt . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.533 -0.746 . . . . 0.0 110.452 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 28.4 m . . . . . 0 N--CA 1.478 0.959 0 CA-C-O 120.482 0.182 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.725 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . -65.31 -35.36 80.77 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.348 179.294 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . 0.661 ' HG2' HD22 ' A' ' 581' ' ' LEU . 11.5 tmtt? -68.53 -42.52 78.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.587 0.708 . . . . 0.0 109.648 178.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -58.18 -47.47 83.3 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.191 178.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -66.03 -43.54 87.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.668 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.705 ' HB3' HD23 ' A' ' 581' ' ' LEU . 0.4 OUTLIER -60.37 -46.86 88.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.502 -178.21 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . 0.786 ' HG3' HD12 ' A' ' 581' ' ' LEU . 3.2 tt0 -64.4 -48.95 73.46 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.52 -177.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 544' ' ' SER . . . . . 0.558 ' O ' ' HB2' ' A' ' 548' ' ' ASN . 12.5 m -61.79 -33.74 74.65 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.485 178.454 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . 0.582 ' CD1' HD13 ' A' ' 599' ' ' LEU . 2.2 t80 -67.02 -50.15 63.02 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -66.1 -44.65 83.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.725 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.424 ' CD1' HD13 ' A' ' 578' ' ' ILE . 3.2 m-85 -56.98 -38.59 73.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.275 175.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 548' ' ' ASN . . . . . 0.558 ' HB2' ' O ' ' A' ' 544' ' ' SER . 20.8 t-20 -66.52 -50.1 64.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.946 -177.005 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 549' ' ' MET . . . . . 0.477 ' HE3' ' HA ' ' A' ' 549' ' ' MET . 22.4 mmt -63.62 -41.67 98.27 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.419 0.628 . . . . 0.0 110.037 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . 0.594 ' HG3' HD22 ' A' ' 571' ' ' LEU . 4.8 ttmm -61.06 -43.93 98.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.896 177.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 73.7 m -66.54 -36.94 83.92 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 177.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -67.17 -46.29 74.45 Favored 'General case' 0 C--O 1.225 -0.231 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -175.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 553' ' ' VAL . . . . . 0.709 HG13 HG13 ' A' ' 570' ' ' VAL . 34.8 m -74.58 -35.33 37.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.493 0.663 . . . . 0.0 110.833 -178.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 554' ' ' GLU . . . . . 0.577 ' HB2' ' O ' ' A' ' 550' ' ' LYS . 2.0 mm-40 -83.67 3.53 32.56 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.362 -179.645 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 555' ' ' ASP . . . . . 0.587 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 26.5 t70 -67.0 137.09 56.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.969 174.176 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -10.82 59.73 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -174.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -101.64 -42.41 2.32 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.272 -0.966 . . . . 0.0 111.063 174.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . 0.919 HD22 ' HD3' ' A' ' 561' ' ' LYS . 10.6 mt -75.0 -12.41 60.32 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -67.79 -11.49 58.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.879 0.371 . . . . 0.0 110.422 175.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . -101.2 -3.84 53.94 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.885 175.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . 0.919 ' HD3' HD22 ' A' ' 558' ' ' LEU . 5.2 mptt -100.26 -32.25 10.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.983 0.42 . . . . 0.0 110.703 178.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . 0.796 ' HB ' HD21 ' A' ' 610' ' ' LEU . 5.2 tt -106.07 152.54 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.508 -178.649 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 7.3 m -81.87 157.52 24.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.566 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -54.21 -49.27 69.79 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 120.944 0.402 . . . . 0.0 111.042 -177.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -57.41 -43.29 83.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.071 -175.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 566' ' ' ASP . . . . . 0.614 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 21.6 m-20 -69.15 -48.24 62.87 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 121.213 0.53 . . . . 0.0 110.173 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.612 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 84.3 tttt -54.32 -48.1 71.75 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.905 176.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -66.65 -44.02 83.02 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.678 -178.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 569' ' ' LYS . . . . . 0.614 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 18.5 ptmt -65.32 -43.03 92.28 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 -174.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 570' ' ' VAL . . . . . 0.709 HG13 HG13 ' A' ' 553' ' ' VAL . 12.7 p -70.41 -40.61 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.832 -179.314 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . 0.594 HD22 ' HG3' ' A' ' 550' ' ' LYS . 33.0 mt -60.11 -49.09 79.03 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.809 0.338 . . . . 0.0 110.723 177.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -63.04 -44.7 95.17 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.935 -179.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 573' ' ' LYS . . . . . 0.848 ' HZ3' ' HB3' ' A' ' 598' ' ' GLU . 50.0 tptt -62.48 -43.01 99.86 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.975 177.178 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 574' ' ' CYS . . . . . . . . . . . . . 61.9 m -58.39 -38.95 78.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.973 0.416 . . . . 0.0 110.831 175.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.01 -36.45 83.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.841 176.385 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -59.52 -56.51 21.09 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.871 0.367 . . . . 0.0 110.68 177.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 577' ' ' VAL . . . . . 0.687 HG22 ' HG2' ' A' ' 595' ' ' LYS . 0.7 OUTLIER -61.84 -45.73 98.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.093 -179.617 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 578' ' ' ILE . . . . . 0.625 ' HA ' HD13 ' A' ' 581' ' ' LEU . 27.6 mt -60.35 -41.24 86.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.693 0.282 . . . . 0.0 111.216 -178.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 47.4 t -65.35 -34.91 79.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.1 0.476 . . . . 0.0 110.554 176.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 86.5 t90 -74.15 -36.06 64.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.078 -178.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 581' ' ' LEU . . . . . 0.786 HD12 ' HG3' ' A' ' 543' ' ' GLU . 36.7 mt -59.26 -45.28 91.63 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.984 178.442 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -71.23 -25.8 62.65 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.793 179.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -87.13 -32.09 20.06 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.045 -176.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -123.54 48.4 1.86 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.08 0.467 . . . . 0.0 110.157 -179.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.76 -24.16 65.52 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.631 178.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . 0.443 ' N ' HD21 ' A' ' 586' ' ' LEU . 1.8 mm? -92.65 6.01 48.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.74 -175.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . 0.46 ' HB3' ' HB2' ' A' ' 591' ' ' GLU . . . -63.39 158.19 21.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.138 0.494 . . . . 0.0 110.364 176.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -84.33 171.51 12.61 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.654 176.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . 0.592 ' HG3' ' N ' ' A' ' 590' ' ' ASP . 28.5 pttt -56.8 -44.14 81.62 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.154 0.284 . . . . 0.0 111.238 -170.148 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 590' ' ' ASP . . . . . 0.592 ' N ' ' HG3' ' A' ' 589' ' ' LYS . 13.9 m-20 -63.73 -27.57 69.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.991 -0.549 . . . . 0.0 112.136 -173.192 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . 0.46 ' HB2' ' HB3' ' A' ' 587' ' ' ALA . 23.7 mm-40 -65.57 -43.98 88.12 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 177.454 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 592' ' ' PHE . . . . . 0.725 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 83.7 m-85 -73.03 -37.56 66.85 Favored 'General case' 0 C--O 1.216 -0.675 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.187 176.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . 0.55 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 6.2 mm-40 -59.45 -38.16 80.04 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.976 0.417 . . . . 0.0 111.108 -178.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -72.25 -39.52 68.36 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.445 174.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . 0.687 ' HG2' HG22 ' A' ' 577' ' ' VAL . 0.4 OUTLIER -59.19 -36.8 76.01 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 121.128 0.49 . . . . 0.0 109.689 175.404 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 596' ' ' ARG . . . . . 0.574 ' HB2' HD23 ' A' ' 542' ' ' LEU . 18.4 ttp85 -61.07 -45.61 94.05 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.522 177.612 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . 0.557 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 45.5 mmtt -66.35 -39.52 89.23 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.38 177.408 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . 0.848 ' HB3' ' HZ3' ' A' ' 573' ' ' LYS . 32.0 mm-40 -59.64 -51.81 68.23 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.232 0.539 . . . . 0.0 110.903 177.374 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.677 ' O ' HG11 ' A' ' 602' ' ' VAL . 2.3 tm? -66.29 -41.68 89.45 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.525 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . 0.496 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 30.8 tt0 -55.59 -48.65 74.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.444 178.139 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 601' ' ' GLN . . . . . 0.557 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 82.0 mt-30 -69.85 -22.43 63.27 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -177.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . 0.677 HG11 ' O ' ' A' ' 599' ' ' LEU . 1.1 p -75.54 -41.45 41.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.327 174.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 603' ' ' CYS . . . . . 0.614 ' HA ' HD11 ' A' ' 606' ' ' ILE . 14.6 p -82.68 -27.17 31.45 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.653 -177.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 604' ' ' ASN . . . . . 0.608 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 43.8 t30 -50.46 -51.72 61.76 Favored Pre-proline 0 N--CA 1.47 0.568 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -175.691 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 605' ' ' PRO . . . . . 0.608 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 53.2 Cg_exo -60.29 -30.54 91.32 Favored 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 122.161 1.908 . . . . 0.0 112.032 179.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 606' ' ' ILE . . . . . 0.679 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -82.06 -40.51 17.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.907 -178.74 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 607' ' ' ILE . . . . . 0.612 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -66.76 -32.09 56.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.396 178.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 23.0 t -66.25 -17.8 64.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.237 177.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -107.67 2.89 34.18 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 121.139 -0.553 . . . . 0.0 112.137 177.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 610' ' ' LEU . . . . . 0.796 HD21 ' HB ' ' A' ' 562' ' ' ILE . 66.0 mt . . . . . 0 C--O 1.247 0.926 0 CA-C-O 119.023 -0.513 . . . . 0.0 110.226 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 19.0 m . . . . . 0 N--CA 1.477 0.881 0 CA-C-O 121.083 0.468 . . . . 0.0 110.676 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.59 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . -68.37 -24.47 64.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.952 -178.228 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -63.59 -40.11 96.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.133 0.492 . . . . 0.0 110.063 178.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -62.11 -46.76 87.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.394 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 541' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 545' ' ' TYR . . . -61.52 -40.08 93.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.611 176.044 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.606 ' HB3' HD23 ' A' ' 581' ' ' LEU . 0.2 OUTLIER -71.96 -48.38 45.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.92 -174.146 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . 0.686 ' HG3' HD12 ' A' ' 581' ' ' LEU . 9.7 tt0 -68.41 -38.98 81.76 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -175.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 22.9 m -66.95 -37.04 83.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.175 176.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . 0.409 ' HB2' ' O ' ' A' ' 541' ' ' ALA . 2.4 t80 -64.24 -49.32 72.38 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.358 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.58 -41.39 92.95 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.965 0.412 . . . . 0.0 110.285 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -58.25 -41.53 84.44 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.633 174.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 -61.09 -49.62 76.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.998 -178.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 549' ' ' MET . . . . . 0.504 ' HG3' ' CD1' ' A' ' 599' ' ' LEU . 19.2 mmt -65.83 -43.29 88.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.347 0.594 . . . . 0.0 110.228 -179.137 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . 0.609 ' HG3' HD22 ' A' ' 571' ' ' LEU . 4.1 ttmm -59.46 -46.03 89.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.023 176.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 10.4 t -65.97 -35.85 81.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.923 179.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -63.96 -46.14 86.01 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -177.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 553' ' ' VAL . . . . . 0.644 HG13 HG13 ' A' ' 570' ' ' VAL . 34.9 m -76.73 -35.16 24.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.333 0.587 . . . . 0.0 111.059 -178.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 554' ' ' GLU . . . . . 0.598 ' HA ' ' HE3' ' A' ' 567' ' ' LYS . 0.7 OUTLIER -86.4 4.38 39.71 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.366 179.473 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 555' ' ' ASP . . . . . 0.586 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 21.4 t70 -65.04 136.86 57.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.826 175.232 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 556' ' ' GLU . . . . . 0.617 ' HA ' ' HE3' ' A' ' 559' ' ' LYS . 10.3 pt-20 -69.96 -12.05 61.33 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -174.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -100.61 -36.18 4.12 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.488 -0.863 . . . . 0.0 111.304 177.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . 0.645 ' HA ' ' HG3' ' A' ' 561' ' ' LYS . 25.3 mt -81.44 -12.17 59.0 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 179.398 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . 0.617 ' HE3' ' HA ' ' A' ' 556' ' ' GLU . 22.1 pttp -70.39 111.29 5.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.464 0.649 . . . . 0.0 109.25 173.198 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 116.02 -27.4 8.23 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 -171.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . 0.645 ' HG3' ' HA ' ' A' ' 558' ' ' LEU . 31.0 mmtm -75.14 -38.07 61.16 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 171.427 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . 0.662 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.7 tt -106.8 152.24 8.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 CA-C-N 114.82 -1.082 . . . . 0.0 109.666 177.395 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.15 154.64 24.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.626 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . 0.544 ' HB3' ' HE2' ' A' ' 568' ' ' LYS . 32.4 mt-10 -54.51 -46.06 73.42 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 120.434 0.159 . . . . 0.0 111.337 -173.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -57.63 -42.88 84.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.773 -175.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 566' ' ' ASP . . . . . 0.494 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 1.6 m-20 -67.88 -48.73 65.26 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.126 0.489 . . . . 0.0 109.746 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.643 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 84.1 tttt -54.81 -48.06 73.25 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.162 -0.927 . . . . 0.0 110.927 176.17 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . 0.544 ' HE2' ' HB3' ' A' ' 564' ' ' GLU . 63.5 mttm -59.75 -50.37 74.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 569' ' ' LYS . . . . . 0.52 ' HZ1' ' HB2' ' A' ' 569' ' ' LYS . 0.0 OUTLIER -64.36 -43.08 95.67 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.664 -172.022 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 570' ' ' VAL . . . . . 0.644 HG13 HG13 ' A' ' 553' ' ' VAL . 13.6 p -70.31 -43.11 78.74 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.016 -179.201 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . 0.609 HD22 ' HG3' ' A' ' 550' ' ' LYS . 41.7 mt -58.47 -48.58 80.3 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.086 0.469 . . . . 0.0 110.333 177.361 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 572' ' ' ASP . . . . . 0.411 ' O ' ' HG3' ' A' ' 576' ' ' GLU . 34.1 t70 -61.1 -47.06 88.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.574 -178.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 573' ' ' LYS . . . . . 0.616 ' CG ' HG12 ' A' ' 602' ' ' VAL . 44.5 tptt -64.03 -40.23 95.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.093 177.247 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 574' ' ' CYS . . . . . 0.447 ' SG ' HD23 ' A' ' 599' ' ' LEU . 97.3 m -61.73 -38.87 89.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.926 0.393 . . . . 0.0 110.114 177.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.66 -37.02 85.34 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.739 176.047 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 576' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 572' ' ' ASP . 47.8 mt-10 -59.55 -55.58 32.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.963 0.411 . . . . 0.0 110.442 177.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 577' ' ' VAL . . . . . 0.558 HG12 ' O ' ' A' ' 573' ' ' LYS . 1.5 p -66.93 -40.5 85.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.647 -179.309 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 578' ' ' ILE . . . . . 0.435 ' HA ' ' CD1' ' A' ' 581' ' ' LEU . 19.0 mt -61.4 -38.3 79.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.866 0.365 . . . . 0.0 111.023 178.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 24.4 m -71.72 -27.01 62.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.134 0.492 . . . . 0.0 110.509 175.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 84.9 t90 -74.36 -37.62 63.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.561 177.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 581' ' ' LEU . . . . . 0.686 HD12 ' HG3' ' A' ' 543' ' ' GLU . 34.6 mt -61.15 -40.76 95.08 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.385 176.246 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -71.29 -24.19 62.1 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.809 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -95.8 -32.32 12.75 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.846 -175.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -114.39 47.96 1.17 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.207 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.71 -19.56 59.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.135 178.049 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -97.07 5.99 49.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.265 -177.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -66.09 162.03 20.46 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.999 0.428 . . . . 0.0 110.267 176.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -106.52 -177.33 3.33 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.271 177.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . 0.42 ' O ' ' HG3' ' A' ' 593' ' ' GLU . 0.0 OUTLIER -56.16 -48.27 76.62 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.329 0.862 . . . . 0.0 113.329 -165.573 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 590' ' ' ASP . . . . . 0.459 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 0.9 OUTLIER -68.63 -25.53 64.89 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 113.353 0.872 . . . . 0.0 113.353 -175.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -60.76 -45.9 92.53 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 173.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 592' ' ' PHE . . . . . 0.59 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 92.9 m-85 -71.74 -45.71 60.86 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.517 179.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . 0.459 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 46.7 mt-10 -59.1 -40.0 83.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.751 0.31 . . . . 0.0 111.103 -176.293 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -69.21 -38.68 78.71 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.262 175.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . 0.46 ' HD3' ' HA ' ' A' ' 595' ' ' LYS . 12.6 tppt? -64.09 -35.41 80.67 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 120.899 0.38 . . . . 0.0 110.381 177.486 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 596' ' ' ARG . . . . . 0.653 ' O ' ' HG3' ' A' ' 600' ' ' GLU . 10.1 ttm180 -58.49 -47.64 83.43 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.273 177.662 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . 0.58 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 26.6 mmmt -55.98 -42.02 75.7 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.818 177.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . 0.415 ' HB3' ' HZ3' ' A' ' 573' ' ' LYS . 12.8 mm-40 -59.61 -53.12 61.72 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 121.847 0.832 . . . . 0.0 111.009 178.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.616 ' O ' HG11 ' A' ' 602' ' ' VAL . 2.4 tm? -59.05 -43.85 91.73 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.881 -1.054 . . . . 0.0 109.692 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . 0.653 ' HG3' ' O ' ' A' ' 596' ' ' ARG . 34.8 mt-10 -57.27 -38.14 73.46 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.353 179.069 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 601' ' ' GLN . . . . . 0.58 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 25.0 mt-30 -68.18 -31.83 71.65 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . 0.616 HG12 ' CG ' ' A' ' 573' ' ' LYS . 1.3 p -74.39 -38.9 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.858 178.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 603' ' ' CYS . . . . . 0.687 ' HB2' HD13 ' A' ' 607' ' ' ILE . 24.6 p -84.28 -25.93 28.97 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.375 -177.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 604' ' ' ASN . . . . . 0.606 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 23.1 t30 -49.1 -54.17 31.43 Favored Pre-proline 0 N--CA 1.474 0.727 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -176.463 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 605' ' ' PRO . . . . . 0.606 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 52.0 Cg_exo -59.17 -24.84 75.75 Favored 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 122.084 1.856 . . . . 0.0 112.45 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 606' ' ' ILE . . . . . 0.662 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -90.61 -40.76 12.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.437 -177.901 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 607' ' ' ILE . . . . . 0.687 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.2 mp -65.37 -26.94 40.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.951 -179.112 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 8.4 t -62.68 -15.92 54.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.743 178.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -120.83 11.08 10.19 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.602 178.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 610' ' ' LEU . . . . . 0.637 HD23 HD23 ' A' ' 558' ' ' LEU . 62.1 mt . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.522 -0.751 . . . . 0.0 110.61 -178.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 4.6 p . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.795 0.331 . . . . 0.0 111.393 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.669 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . -64.19 -25.34 68.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.731 -177.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 539' ' ' LYS . . . . . 0.862 ' HZ3' ' HB3' ' A' ' 581' ' ' LEU . 2.4 tmtm? -65.46 -48.78 71.49 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.357 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -59.77 -47.27 86.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.434 178.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -59.31 -44.52 92.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.14 178.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 542' ' ' LEU . . . . . 0.651 HD23 ' O ' ' A' ' 592' ' ' PHE . 0.2 OUTLIER -66.83 -46.9 73.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.482 -176.167 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . 0.939 ' HG3' HD12 ' A' ' 581' ' ' LEU . 4.2 tt0 -66.0 -45.44 81.54 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.691 -178.05 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 544' ' ' SER . . . . . 0.468 ' O ' ' HB2' ' A' ' 548' ' ' ASN . 9.4 t -61.81 -34.4 75.86 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 177.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . 0.47 ' CD1' HD13 ' A' ' 599' ' ' LEU . 3.5 t80 -67.62 -50.05 59.98 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 -179.319 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -66.36 -42.5 87.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.504 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 547' ' ' PHE . . . . . 0.41 ' CD1' HD13 ' A' ' 578' ' ' ILE . 2.3 m-85 -57.98 -40.06 79.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.553 175.316 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 548' ' ' ASN . . . . . 0.468 ' HB2' ' O ' ' A' ' 544' ' ' SER . 30.1 t-20 -65.64 -49.51 68.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.154 -176.228 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 549' ' ' MET . . . . . 0.465 ' HG2' ' O ' ' A' ' 545' ' ' TYR . 16.5 mmt -63.99 -43.53 95.43 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 121.553 0.692 . . . . 0.0 109.723 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 550' ' ' LYS . . . . . 0.597 ' HG3' HD22 ' A' ' 571' ' ' LEU . 3.4 ttmm -57.72 -46.81 83.9 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.72 -1.127 . . . . 0.0 111.306 176.001 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 69.0 m -65.93 -35.78 81.55 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.73 178.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -66.04 -46.1 79.03 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -177.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 553' ' ' VAL . . . . . 0.719 HG13 HG13 ' A' ' 570' ' ' VAL . 33.8 m -75.67 -31.09 22.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.468 0.651 . . . . 0.0 111.255 -178.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 554' ' ' GLU . . . . . 0.629 ' HA ' ' NZ ' ' A' ' 567' ' ' LYS . 0.1 OUTLIER -86.63 5.47 35.72 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.818 178.357 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 555' ' ' ASP . . . . . 0.419 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 31.9 t70 -76.48 129.26 36.25 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.479 174.564 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 556' ' ' GLU . . . . . 0.466 ' O ' ' HG2' ' A' ' 559' ' ' LYS . 62.5 mm-40 -71.31 -5.03 29.28 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -178.341 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 557' ' ' GLY . . . . . 0.437 ' O ' ' HE3' ' A' ' 561' ' ' LYS . . . -96.79 -30.41 7.58 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.165 -1.017 . . . . 0.0 110.789 174.583 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 558' ' ' LEU . . . . . 0.892 HD22 ' HD2' ' A' ' 561' ' ' LYS . 2.0 mt -86.95 0.55 54.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.238 -0.481 . . . . 0.0 111.431 179.137 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' ' 556' ' ' GLU . 20.9 ptmt -64.34 132.92 51.55 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 173.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 94.31 -33.5 5.24 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.491 -0.861 . . . . 0.0 111.559 -176.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 561' ' ' LYS . . . . . 0.892 ' HD2' HD22 ' A' ' 558' ' ' LEU . 81.5 mttt -67.73 -36.77 81.19 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 176.222 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 562' ' ' ILE . . . . . 0.625 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.5 tt -113.34 148.23 16.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.572 176.114 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.11 143.83 47.21 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 173.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -60.14 -30.85 69.57 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.327 -175.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.89 97.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.629 0.252 . . . . 0.0 111.129 176.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 566' ' ' ASP . . . . . 0.485 ' HA ' ' HD3' ' A' ' 569' ' ' LYS . 3.4 m-20 -67.77 -43.66 79.3 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 177.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 567' ' ' LYS . . . . . 0.629 ' NZ ' ' HA ' ' A' ' 554' ' ' GLU . 27.8 tttp -54.05 -48.97 70.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.586 174.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -65.23 -46.23 81.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.711 -178.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 569' ' ' LYS . . . . . 0.485 ' HD3' ' HA ' ' A' ' 566' ' ' ASP . 17.7 pttt -66.24 -42.6 88.37 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.62 -0.263 . . . . 0.0 110.591 -174.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 570' ' ' VAL . . . . . 0.719 HG13 HG13 ' A' ' 553' ' ' VAL . 14.0 p -70.01 -40.25 78.33 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.84 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 571' ' ' LEU . . . . . 0.597 HD22 ' HG3' ' A' ' 550' ' ' LYS . 31.9 mt -59.03 -48.14 82.66 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.957 0.408 . . . . 0.0 110.091 176.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -62.87 -46.14 89.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.621 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 573' ' ' LYS . . . . . 0.673 ' CG ' HG12 ' A' ' 602' ' ' VAL . 50.2 tptt -62.45 -41.07 98.48 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.862 177.143 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 574' ' ' CYS . . . . . 0.467 ' HG ' HG22 ' A' ' 570' ' ' VAL . 95.5 m -61.17 -38.21 85.65 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.365 175.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -65.12 -36.64 84.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.034 175.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 576' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' A' ' 573' ' ' LYS . 60.8 mt-10 -58.38 -56.13 26.04 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.287 0.565 . . . . 0.0 110.829 176.407 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 577' ' ' VAL . . . . . 0.536 HG22 ' HG2' ' A' ' 595' ' ' LYS . 1.3 p -66.12 -39.88 85.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.414 -178.521 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 578' ' ' ILE . . . . . 0.477 ' HA ' HD13 ' A' ' 581' ' ' LEU . 19.2 mt -64.23 -39.21 84.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 CA-C-O 120.696 0.284 . . . . 0.0 111.643 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 36.0 p -72.12 -32.84 67.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.944 0.402 . . . . 0.0 110.465 175.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 59.3 t90 -65.97 -40.88 91.63 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-O 121.583 0.706 . . . . 0.0 109.105 176.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 581' ' ' LEU . . . . . 0.939 HD12 ' HG3' ' A' ' 543' ' ' GLU . 15.8 mt -57.67 -44.29 85.63 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.34 178.123 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -69.33 -27.66 65.56 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.986 178.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -89.32 -32.35 17.38 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.949 -175.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -112.35 57.48 0.65 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.032 -178.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 4.1 p -68.77 -19.62 64.33 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.628 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -96.11 5.84 50.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.964 0.412 . . . . 0.0 110.818 -177.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -65.62 153.17 42.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.737 177.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -95.51 175.5 6.54 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.385 176.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 589' ' ' LYS . . . . . 0.503 ' O ' ' HG3' ' A' ' 593' ' ' GLU . 19.2 pttp -55.56 -45.16 77.31 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -167.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 590' ' ' ASP . . . . . 0.601 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 8.5 p-10 -65.41 -26.38 67.96 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.532 0.568 . . . . 0.0 112.532 -175.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -60.75 -43.93 97.33 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 172.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 592' ' ' PHE . . . . . 0.669 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 70.2 m-85 -70.53 -44.48 67.44 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.705 176.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 593' ' ' GLU . . . . . 0.601 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 44.1 mt-10 -60.11 -39.71 87.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.368 -176.361 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 594' ' ' HIS . . . . . 0.403 ' O ' ' HG3' ' A' ' 598' ' ' GLU . 18.2 m80 -70.45 -37.56 74.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.844 0.354 . . . . 0.0 110.464 175.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 595' ' ' LYS . . . . . 0.536 ' HG2' HG22 ' A' ' 577' ' ' VAL . 0.3 OUTLIER -65.15 -35.83 82.33 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.576 0.703 . . . . 0.0 109.414 177.504 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 596' ' ' ARG . . . . . 0.587 ' HB2' HD23 ' A' ' 542' ' ' LEU . 15.1 ttp85 -60.63 -40.45 91.97 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 114.675 -1.148 . . . . 0.0 109.526 178.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 597' ' ' LYS . . . . . 0.519 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 48.6 mmtm -58.57 -46.69 86.37 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.278 175.513 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 598' ' ' GLU . . . . . 0.605 ' HB3' ' HZ2' ' A' ' 573' ' ' LYS . 58.8 mt-10 -60.44 -57.25 13.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.541 -178.195 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 599' ' ' LEU . . . . . 0.643 ' O ' HG11 ' A' ' 602' ' ' VAL . 2.5 tm? -58.54 -41.69 86.13 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.835 -178.146 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 600' ' ' GLU . . . . . 0.565 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 25.1 tt0 -59.57 -38.63 81.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.008 179.195 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 601' ' ' GLN . . . . . 0.519 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 84.2 mt-30 -69.58 -28.82 66.29 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 178.179 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 602' ' ' VAL . . . . . 0.673 HG12 ' CG ' ' A' ' 573' ' ' LYS . 1.4 p -75.0 -39.35 44.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.508 178.296 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 603' ' ' CYS . . . . . 0.692 ' HB2' HD13 ' A' ' 607' ' ' ILE . 21.4 p -83.96 -28.17 27.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.949 -177.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 604' ' ' ASN . . . . . 0.614 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 23.1 t30 -50.5 -54.35 36.12 Favored Pre-proline 0 N--CA 1.472 0.652 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -176.513 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 605' ' ' PRO . . . . . 0.614 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 45.4 Cg_exo -61.38 -20.34 67.94 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 122.326 2.017 . . . . 0.0 112.834 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 606' ' ' ILE . . . . . 0.647 ' O ' HD11 ' A' ' 610' ' ' LEU . 0.0 OUTLIER -91.72 -41.0 12.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.23 -178.899 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 607' ' ' ILE . . . . . 0.692 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.1 mp -63.86 -17.69 20.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 C-N-CA 123.653 0.781 . . . . 0.0 112.079 -174.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 5.2 p -67.52 -1.4 4.92 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -178.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -131.66 16.41 5.09 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 110.424 -1.07 . . . . 0.0 110.424 176.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 610' ' ' LEU . . . . . 0.738 ' HG ' HD23 ' A' ' 558' ' ' LEU . 10.6 mp . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.33 -0.843 . . . . 0.0 110.309 -174.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 538' ' ' ALA . . . . . 0.428 ' O ' ' HB2' ' A' ' 542' ' ' LEU . . . . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 120.567 0.222 . . . . 0.0 110.49 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 539' ' ' LYS . . . . . 0.568 ' HE3' HG22 ' A' ' 585' ' ' THR . 13.7 tmtt? -64.17 -48.51 75.67 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 176.372 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -63.29 -41.22 98.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.11 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -62.12 -44.9 95.63 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.055 0.455 . . . . 0.0 110.7 177.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.768 HD12 HG21 ' A' ' 577' ' ' VAL . 0.3 OUTLIER -64.87 -47.31 78.34 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.688 -177.018 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 543' ' ' GLU . . . . . 0.562 ' CB ' HD13 ' A' ' 581' ' ' LEU . 8.5 tt0 -67.06 -42.14 85.27 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.53 -176.166 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 39.7 m -63.46 -42.01 98.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.229 177.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 545' ' ' TYR . . . . . 0.451 ' OH ' ' HG2' ' A' ' 600' ' ' GLU . 1.5 t80 -61.54 -49.13 77.95 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 178.709 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -64.53 -41.99 96.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.305 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -58.08 -43.48 87.06 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.63 175.015 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -61.23 -49.62 76.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.936 -178.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 549' ' ' MET . . . . . . . . . . . . . 21.8 mmt -64.57 -42.63 95.53 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.405 0.621 . . . . 0.0 110.291 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 550' ' ' LYS . . . . . 0.591 ' O ' ' HB2' ' A' ' 554' ' ' GLU . 4.4 ttmm -59.51 -45.98 90.17 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.809 177.427 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 66.3 m -65.52 -35.41 80.78 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.435 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -67.42 -46.8 72.12 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -177.216 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 553' ' ' VAL . . . . . 0.853 HG11 HG11 ' A' ' 570' ' ' VAL . 35.0 m -74.92 -34.35 32.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.186 0.517 . . . . 0.0 111.108 -179.007 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 554' ' ' GLU . . . . . 0.614 ' HG2' HD11 ' A' ' 571' ' ' LEU . 0.9 OUTLIER -86.37 1.19 52.1 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.776 179.521 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 555' ' ' ASP . . . . . 0.496 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 14.7 t70 -63.07 141.93 58.58 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 173.547 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -69.22 -13.71 62.56 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -173.157 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -103.2 -42.89 1.97 Allowed Glycine 0 N--CA 1.441 -0.991 0 C-N-CA 119.494 -1.336 . . . . 0.0 111.471 176.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.928 HD23 ' HD2' ' A' ' 561' ' ' LYS . 17.3 mt -70.4 -14.73 62.68 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.56 0.219 . . . . 0.0 111.256 177.72 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 559' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 560' ' ' GLY . 0.1 OUTLIER -61.76 -19.0 61.99 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.343 178.664 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 560' ' ' GLY . . . . . 0.456 ' N ' ' HD3' ' A' ' 559' ' ' LYS . . . -109.46 0.85 30.88 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.743 177.101 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 561' ' ' LYS . . . . . 0.928 ' HD2' HD23 ' A' ' 558' ' ' LEU . 82.5 mttt -96.36 -28.6 14.4 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.2 0.524 . . . . 0.0 110.203 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 562' ' ' ILE . . . . . 0.691 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.9 tt -105.98 156.78 6.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.407 177.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 563' ' ' SER . . . . . 0.453 ' N ' HG12 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -79.47 148.97 31.68 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 178.909 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -54.55 -44.73 73.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.818 0.342 . . . . 0.0 111.086 -173.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -59.49 -43.25 93.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.067 -177.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 566' ' ' ASP . . . . . 0.478 ' O ' HG12 ' A' ' 570' ' ' VAL . 17.1 m-20 -67.07 -45.74 76.42 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.285 0.564 . . . . 0.0 109.876 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.458 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 52.0 tttm -54.34 -47.66 72.31 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.892 -1.049 . . . . 0.0 110.873 174.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -63.88 -49.36 73.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.887 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 569' ' ' LYS . . . . . 0.472 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 18.7 ptmt -64.85 -42.09 95.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.688 -172.737 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 570' ' ' VAL . . . . . 0.853 HG11 HG11 ' A' ' 553' ' ' VAL . 13.2 p -70.2 -40.55 78.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.685 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 571' ' ' LEU . . . . . 0.614 HD11 ' HG2' ' A' ' 554' ' ' GLU . 44.5 mt -60.37 -47.74 84.75 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.745 0.307 . . . . 0.0 110.592 177.23 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -62.38 -43.92 97.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.379 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 573' ' ' LYS . . . . . 0.601 ' CG ' HG11 ' A' ' 602' ' ' VAL . 49.1 tptt -64.68 -41.79 95.79 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.772 177.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 574' ' ' CYS . . . . . 0.495 ' SG ' HD21 ' A' ' 599' ' ' LEU . 67.1 m -62.18 -39.26 92.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.481 176.751 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.68 -36.16 81.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.479 175.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 576' ' ' GLU . . . . . 0.453 ' HB3' ' O ' ' A' ' 573' ' ' LYS . 1.5 tt0 -58.36 -56.36 23.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.163 177.667 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 577' ' ' VAL . . . . . 0.768 HG21 HD12 ' A' ' 542' ' ' LEU . 1.4 p -66.56 -42.78 90.53 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.532 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.445 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 578' ' ' ILE . . . . . 0.904 ' HA ' HD12 ' A' ' 581' ' ' LEU . 24.3 mt -61.83 -41.74 91.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 111.706 0.262 . . . . 0.0 111.706 -178.476 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 20.9 t -72.02 -25.93 62.01 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.206 0.527 . . . . 0.0 110.273 177.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 580' ' ' TRP . . . . . 0.705 ' CZ2' ' HG3' ' A' ' 591' ' ' GLU . 57.8 t90 -77.44 -39.35 47.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.083 176.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 581' ' ' LEU . . . . . 0.904 HD12 ' HA ' ' A' ' 578' ' ' ILE . 38.9 mt -56.52 -45.32 81.17 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.417 0.627 . . . . 0.0 110.232 176.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -65.47 -22.2 66.72 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.754 -1.112 . . . . 0.0 110.714 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -97.78 -32.43 11.73 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.181 -175.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -123.36 55.06 1.24 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.124 0.488 . . . . 0.0 110.708 -175.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 585' ' ' THR . . . . . 0.568 HG22 ' HE3' ' A' ' 539' ' ' LYS . 7.3 p -67.11 -21.55 65.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.635 0.731 . . . . 0.0 110.435 174.516 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 586' ' ' LEU . . . . . 0.484 HD22 ' N ' ' A' ' 586' ' ' LEU . 2.2 mm? -90.91 5.4 48.77 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.521 -175.691 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 587' ' ' ALA . . . . . 0.426 ' HB3' ' CE2' ' A' ' 592' ' ' PHE . . . -62.43 157.31 20.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.436 177.451 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -75.48 166.26 23.85 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 176.045 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -56.35 -44.61 80.23 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.093 -177.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 590' ' ' ASP . . . . . 0.527 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 12.0 m-20 -62.89 -26.99 69.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.93 -176.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 591' ' ' GLU . . . . . 0.705 ' HG3' ' CZ2' ' A' ' 580' ' ' TRP . 17.5 tp10 -65.93 -43.81 86.98 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 592' ' ' PHE . . . . . 0.46 ' O ' HD21 ' A' ' 542' ' ' LEU . 89.3 m-85 -71.24 -40.15 71.22 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.85 176.303 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 593' ' ' GLU . . . . . 0.527 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 55.2 mm-40 -58.19 -42.05 85.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.973 0.416 . . . . 0.0 110.393 -179.453 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -71.4 -37.19 71.55 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.411 176.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 7.5 tppt? -62.96 -36.81 84.69 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.141 0.496 . . . . 0.0 110.02 178.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 596' ' ' ARG . . . . . 0.662 ' HB2' HD21 ' A' ' 542' ' ' LEU . 17.7 ttp180 -60.16 -48.88 79.86 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.088 176.315 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 597' ' ' LYS . . . . . 0.601 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 32.6 mmtp -55.78 -43.36 76.69 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.663 177.323 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 598' ' ' GLU . . . . . 0.436 ' HB3' ' NZ ' ' A' ' 573' ' ' LYS . 45.0 mt-10 -60.02 -53.61 55.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.877 177.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.676 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.0 tm? -60.25 -42.88 96.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.708 -178.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 600' ' ' GLU . . . . . 0.559 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 48.2 mt-10 -57.51 -44.8 85.33 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.917 177.549 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 601' ' ' GLN . . . . . 0.601 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 49.5 mt-30 -65.95 -28.44 68.91 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.108 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 602' ' ' VAL . . . . . 0.676 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.4 p -76.24 -40.68 36.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 120.309 -0.556 . . . . 0.0 110.811 178.024 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 603' ' ' CYS . . . . . 0.65 ' HB2' HD13 ' A' ' 607' ' ' ILE . 15.3 p -83.3 -27.28 29.91 Favored 'General case' 0 C--O 1.219 -0.5 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.584 -177.617 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 604' ' ' ASN . . . . . 0.612 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 23.3 t30 -50.39 -52.99 49.76 Favored Pre-proline 0 N--CA 1.471 0.622 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -177.047 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 605' ' ' PRO . . . . . 0.612 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 51.7 Cg_exo -60.48 -21.61 68.78 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 122.179 1.919 . . . . 0.0 112.453 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 606' ' ' ILE . . . . . 0.691 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -91.98 -41.32 12.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.36 -179.798 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 607' ' ' ILE . . . . . 0.65 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -68.31 -29.51 44.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 C-N-CA 123.279 0.632 . . . . 0.0 111.233 -178.528 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 4.1 p -67.49 -11.79 58.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.96 0.409 . . . . 0.0 111.595 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -116.94 17.32 13.03 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.402 176.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 610' ' ' LEU . . . . . . . . . . . . . 93.4 mt . . . . . 0 C--O 1.251 1.167 0 CA-C-O 118.712 -0.661 . . . . 0.0 110.514 -178.35 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 538' ' ' ALA . . . . . 0.565 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . . . . . . 0 C--O 1.226 -0.17 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 539' ' ' LYS . . . . . 0.684 ' HG2' HD22 ' A' ' 581' ' ' LEU . 9.3 tmtt? -66.43 -42.43 87.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.086 0.47 . . . . 0.0 109.979 178.209 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -62.62 -41.27 98.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.135 177.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -63.83 -47.52 80.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.585 175.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.725 ' HB3' HD21 ' A' ' 581' ' ' LEU . 0.3 OUTLIER -63.24 -47.87 80.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.826 -0.624 . . . . 0.0 112.234 -175.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 543' ' ' GLU . . . . . 0.535 ' CB ' HD13 ' A' ' 581' ' ' LEU . 9.8 tt0 -68.21 -38.9 82.42 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-N 116.341 -0.39 . . . . 0.0 109.997 -176.26 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 15.3 t -66.31 -41.09 90.21 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.818 176.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 545' ' ' TYR . . . . . 0.495 ' CD1' HD12 ' A' ' 599' ' ' LEU . 2.2 t80 -61.83 -48.89 78.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.985 178.642 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.05 -43.62 91.68 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.321 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -57.55 -41.49 81.09 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.527 175.189 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 -61.57 -50.18 73.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.019 -178.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 549' ' ' MET . . . . . . . . . . . . . 22.8 mmt -65.91 -42.29 90.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.634 0.731 . . . . 0.0 110.249 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 550' ' ' LYS . . . . . 0.617 ' HG3' HD23 ' A' ' 571' ' ' LEU . 2.0 ttmm -59.62 -45.28 92.42 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.643 -1.162 . . . . 0.0 111.067 176.476 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 11.0 t -66.64 -37.02 83.96 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.926 178.308 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -62.76 -45.41 92.84 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -176.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 553' ' ' VAL . . . . . 0.714 HG11 HG11 ' A' ' 570' ' ' VAL . 35.9 m -76.25 -34.89 26.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.468 0.651 . . . . 0.0 111.206 -178.505 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 554' ' ' GLU . . . . . 0.557 ' HG2' HD11 ' A' ' 571' ' ' LEU . 0.3 OUTLIER -89.21 4.88 47.18 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.212 -0.904 . . . . 0.0 112.313 179.831 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 555' ' ' ASP . . . . . 0.591 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 31.9 t70 -65.71 138.34 57.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.354 0.597 . . . . 0.0 111.533 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 556' ' ' GLU . . . . . 0.405 ' C ' ' HG3' ' A' ' 559' ' ' LYS . 7.8 pt-20 -72.14 -8.86 57.06 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.017 -0.992 . . . . 0.0 113.111 -178.077 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 557' ' ' GLY . . . . . 0.554 ' O ' ' HE3' ' A' ' 561' ' ' LYS . . . -102.24 -36.44 3.61 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.547 -0.835 . . . . 0.0 111.101 175.147 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.912 HD23 ' HD2' ' A' ' 561' ' ' LYS . 1.7 mt -80.58 4.04 19.84 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.183 -0.508 . . . . 0.0 112.06 178.748 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 559' ' ' LYS . . . . . 0.405 ' HG3' ' C ' ' A' ' 556' ' ' GLU . 0.0 OUTLIER -57.79 129.19 40.76 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.308 0.575 . . . . 0.0 110.889 176.848 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 87.14 -14.35 57.59 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.729 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 561' ' ' LYS . . . . . 0.912 ' HD2' HD23 ' A' ' 558' ' ' LEU . 82.1 mttt -78.18 -27.77 48.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.22 0.534 . . . . 0.0 110.174 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 562' ' ' ILE . . . . . 0.737 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.4 tt -117.1 153.25 18.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 174.687 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 21.3 t -81.35 156.39 25.5 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 564' ' ' GLU . . . . . 0.639 ' HB3' ' HE2' ' A' ' 568' ' ' LYS . 14.6 mm-40 -55.63 -46.29 77.45 Favored 'General case' 0 C--O 1.221 -0.409 0 O-C-N 123.023 0.202 . . . . 0.0 110.804 -174.732 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -57.7 -43.5 85.19 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -175.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 566' ' ' ASP . . . . . 0.494 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 6.5 m-20 -68.25 -46.69 69.78 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.279 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.509 ' HE3' ' HG2' ' A' ' 554' ' ' GLU . 75.2 tttt -54.78 -48.41 72.71 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.816 175.245 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 568' ' ' LYS . . . . . 0.639 ' HE2' ' HB3' ' A' ' 564' ' ' GLU . 65.3 mttm -63.26 -46.77 85.3 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.623 -179.629 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 569' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 0.0 OUTLIER -64.05 -42.56 96.99 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.32 -174.348 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 570' ' ' VAL . . . . . 0.714 HG11 HG11 ' A' ' 553' ' ' VAL . 12.5 p -70.6 -42.26 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.737 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 571' ' ' LEU . . . . . 0.617 HD23 ' HG3' ' A' ' 550' ' ' LYS . 28.4 mt -59.72 -45.92 90.69 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.606 0.241 . . . . 0.0 110.693 178.015 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -62.15 -47.35 84.95 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.45 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 573' ' ' LYS . . . . . 0.607 ' O ' HG12 ' A' ' 577' ' ' VAL . 49.6 tptt -64.95 -39.94 94.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.012 179.077 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 574' ' ' CYS . . . . . 0.51 ' SG ' HD21 ' A' ' 599' ' ' LEU . 68.2 m -62.42 -41.31 98.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.968 0.413 . . . . 0.0 110.114 177.058 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -61.21 -41.98 97.78 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.411 174.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -59.76 -52.6 64.79 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.074 -178.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 577' ' ' VAL . . . . . 0.687 HG21 HD12 ' A' ' 542' ' ' LEU . 1.5 p -66.83 -39.7 84.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.354 177.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 578' ' ' ILE . . . . . 1.013 ' HA ' HD12 ' A' ' 581' ' ' LEU . 14.4 mt -60.71 -41.46 88.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.864 0.364 . . . . 0.0 110.963 179.389 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 35.4 m -68.39 -32.02 71.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.821 0.343 . . . . 0.0 110.494 174.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 83.1 t90 -69.49 -37.66 77.32 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.697 178.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 581' ' ' LEU . . . . . 1.013 HD12 ' HA ' ' A' ' 578' ' ' ILE . 33.7 mt -59.58 -43.89 93.5 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.459 177.498 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -67.61 -33.82 75.75 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.322 178.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -82.33 -32.49 29.36 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.461 -0.79 . . . . 0.0 112.356 -175.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 584' ' ' ASN . . . . . 0.404 ' HB3' ' HB2' ' A' ' 587' ' ' ALA . 3.2 m-20 -114.89 49.42 1.05 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.102 0.477 . . . . 0.0 110.22 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.34 -21.43 65.29 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.341 0.591 . . . . 0.0 111.059 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -96.62 5.9 49.79 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.044 -174.514 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 587' ' ' ALA . . . . . 0.428 ' HB1' ' HB2' ' A' ' 591' ' ' GLU . . . -67.55 157.06 35.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.107 0.48 . . . . 0.0 111.218 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -85.03 170.15 13.26 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.739 173.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 589' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 590' ' ' ASP . 18.6 pttp -57.12 -45.12 83.75 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -172.261 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 590' ' ' ASP . . . . . 0.568 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 2.9 m-20 -58.11 -31.54 67.24 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -177.42 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 591' ' ' GLU . . . . . 0.428 ' HB2' ' HB1' ' A' ' 587' ' ' ALA . 30.3 mm-40 -62.14 -47.93 82.36 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 177.657 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 592' ' ' PHE . . . . . 0.565 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 75.8 m-85 -66.96 -40.13 87.42 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 115.157 -0.928 . . . . 0.0 109.888 176.451 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 593' ' ' GLU . . . . . 0.568 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 33.2 mt-10 -59.0 -38.73 79.87 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.32 -177.381 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 594' ' ' HIS . . . . . 0.41 ' O ' ' HG3' ' A' ' 598' ' ' GLU . 39.4 m80 -69.37 -41.71 76.15 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.751 0.31 . . . . 0.0 110.409 175.354 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 595' ' ' LYS . . . . . 0.448 ' HG2' HG23 ' A' ' 577' ' ' VAL . 13.4 tppt? -60.31 -36.34 77.68 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.526 176.139 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 596' ' ' ARG . . . . . 0.678 ' HB2' HD21 ' A' ' 542' ' ' LEU . 30.5 ttp180 -60.34 -41.77 94.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.722 178.534 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 597' ' ' LYS . . . . . 0.68 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 31.0 mmtp -61.27 -45.2 95.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.184 175.488 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 598' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 594' ' ' HIS . 29.8 mt-10 -60.04 -54.53 44.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.495 0.664 . . . . 0.0 111.147 -178.483 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.666 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.6 tm? -58.49 -42.15 86.93 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.228 -0.897 . . . . 0.0 109.568 178.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 600' ' ' GLU . . . . . 0.526 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 35.6 tt0 -56.45 -43.08 79.17 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.811 177.129 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 601' ' ' GLN . . . . . 0.68 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 73.4 mt-30 -67.47 -29.54 69.01 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 -178.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 602' ' ' VAL . . . . . 0.666 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.6 p -75.74 -39.77 39.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.748 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 603' ' ' CYS . . . . . 0.586 ' HA ' HD13 ' A' ' 606' ' ' ILE . 9.5 p -83.41 -27.75 29.36 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.779 -178.339 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 604' ' ' ASN . . . . . 0.638 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 33.4 t30 -49.97 -54.43 32.82 Favored Pre-proline 0 CA--C 1.537 0.477 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -175.438 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 605' ' ' PRO . . . . . 0.638 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 52.7 Cg_exo -60.24 -26.84 83.6 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 122.107 1.871 . . . . 0.0 112.461 -179.265 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 606' ' ' ILE . . . . . 0.737 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -83.68 -40.64 16.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.692 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 607' ' ' ILE . . . . . 0.585 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.4 mp -65.0 -30.58 50.79 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.595 178.738 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 45.7 m -59.69 -23.22 62.95 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.598 177.142 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -110.27 7.52 30.65 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.241 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 610' ' ' LEU . . . . . 0.657 HD21 ' HB ' ' A' ' 562' ' ' ILE . 73.8 mt . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.583 -0.722 . . . . 0.0 110.453 -178.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 538' ' ' ALA . . . . . 0.639 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . . . . . . 0 N--CA 1.455 -0.192 0 CA-C-O 120.287 0.089 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 539' ' ' LYS . . . . . 0.477 ' NZ ' ' HB3' ' A' ' 581' ' ' LEU . 2.3 tmtm? -60.88 -48.8 80.15 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.08 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -62.83 -47.22 84.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.797 -177.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -60.17 -43.04 96.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.781 178.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.785 HD12 HD21 ' A' ' 581' ' ' LEU . 2.5 tm? -66.14 -47.82 72.81 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.289 -176.715 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 543' ' ' GLU . . . . . 0.984 ' HG3' HD13 ' A' ' 581' ' ' LEU . 7.2 tt0 -65.17 -47.83 75.63 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 120.865 0.364 . . . . 0.0 110.34 -177.521 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 16.3 m -59.68 -32.7 70.73 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.381 178.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 545' ' ' TYR . . . . . 0.476 ' CD1' HD12 ' A' ' 599' ' ' LEU . 3.2 t80 -66.13 -49.33 67.85 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 178.609 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.98 -41.11 91.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.201 0.524 . . . . 0.0 110.159 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -57.33 -43.99 83.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.624 173.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 50.8 m-20 -59.66 -49.83 76.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.702 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 549' ' ' MET . . . . . 0.416 ' HG3' ' CD1' ' A' ' 599' ' ' LEU . 22.0 mmt -66.68 -43.47 84.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.22 0.533 . . . . 0.0 110.612 -178.041 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 550' ' ' LYS . . . . . 0.665 ' HG3' HD23 ' A' ' 571' ' ' LEU . 6.7 ttmm -58.6 -47.72 83.37 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.91 176.554 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 14.1 t -66.16 -36.12 82.27 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.151 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -63.84 -45.94 87.27 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -177.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 553' ' ' VAL . . . . . 0.847 HG11 HG11 ' A' ' 570' ' ' VAL . 34.5 m -76.71 -34.85 24.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.312 0.577 . . . . 0.0 111.212 -178.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 554' ' ' GLU . . . . . 0.62 ' HG2' HD11 ' A' ' 571' ' ' LEU . 1.1 mm-40 -86.95 3.62 45.0 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.381 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 555' ' ' ASP . . . . . 0.638 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 24.2 t70 -64.03 142.08 58.54 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.148 179.36 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 556' ' ' GLU . . . . . 0.931 ' HA ' ' HE3' ' A' ' 559' ' ' LYS . 35.8 mt-10 -69.4 -18.43 63.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.265 -176.571 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -97.66 -33.12 5.97 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.386 -0.911 . . . . 0.0 111.02 178.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.711 ' HA ' ' HG3' ' A' ' 561' ' ' LYS . 32.3 mt -86.15 -6.36 59.01 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 559' ' ' LYS . . . . . 0.931 ' HE3' ' HA ' ' A' ' 556' ' ' GLU . 19.6 ptpt -67.07 109.5 3.04 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.227 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 111.71 -22.65 18.97 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.504 -173.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 561' ' ' LYS . . . . . 0.711 ' HG3' ' HA ' ' A' ' 558' ' ' LEU . 50.6 mmtt -76.72 -36.55 57.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.398 0.618 . . . . 0.0 109.496 176.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 562' ' ' ILE . . . . . 0.784 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.5 tt -105.68 156.68 6.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.57 178.16 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 563' ' ' SER . . . . . 0.459 ' N ' HG12 ' A' ' 562' ' ' ILE . 21.2 m -78.24 149.1 33.67 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.179 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 564' ' ' GLU . . . . . 0.438 ' H ' ' HG3' ' A' ' 564' ' ' GLU . 0.0 OUTLIER -53.57 -45.25 69.87 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -175.572 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.95 98.45 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.221 -178.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 566' ' ' ASP . . . . . 0.588 ' HB3' ' HB ' ' A' ' 606' ' ' ILE . 13.8 m-20 -66.21 -45.01 82.25 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.506 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 71.2 tttt -54.68 -47.98 72.96 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.606 174.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -64.69 -49.15 72.07 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.08 -178.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 569' ' ' LYS . . . . . 0.561 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 12.5 ptmt -59.2 -45.18 91.74 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 120.797 0.332 . . . . 0.0 110.567 -174.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 570' ' ' VAL . . . . . 0.847 HG11 HG11 ' A' ' 553' ' ' VAL . 12.6 p -69.93 -42.78 79.79 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.901 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.839 -178.14 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 571' ' ' LEU . . . . . 0.665 HD23 ' HG3' ' A' ' 550' ' ' LYS . 37.6 mt -59.86 -46.73 88.38 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.848 0.356 . . . . 0.0 110.481 178.132 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 572' ' ' ASP . . . . . 0.57 ' O ' ' HG3' ' A' ' 576' ' ' GLU . 33.9 t70 -61.47 -48.66 80.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.373 -178.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 573' ' ' LYS . . . . . 0.658 ' O ' HG12 ' A' ' 577' ' ' VAL . 46.1 tptt -63.07 -41.37 99.41 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.728 178.475 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 574' ' ' CYS . . . . . 0.526 ' SG ' HD21 ' A' ' 599' ' ' LEU . 92.3 m -62.98 -38.91 93.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.94 0.4 . . . . 0.0 110.699 178.552 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 575' ' ' GLN . . . . . 0.443 ' HG2' ' HE3' ' A' ' 550' ' ' LYS . 2.3 mm100 -66.35 -41.72 89.13 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.873 176.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 576' ' ' GLU . . . . . 0.57 ' HG3' ' O ' ' A' ' 572' ' ' ASP . 61.2 mt-10 -59.75 -50.64 73.02 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 123.448 0.468 . . . . 0.0 110.695 178.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 577' ' ' VAL . . . . . 0.658 HG12 ' O ' ' A' ' 573' ' ' LYS . 2.4 p -66.59 -37.86 80.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.427 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 578' ' ' ILE . . . . . 0.898 ' HA ' HD12 ' A' ' 581' ' ' LEU . 13.3 mt -65.47 -39.58 85.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 122.249 -0.282 . . . . 0.0 111.272 178.689 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 24.7 p -71.6 -26.46 62.6 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 121.185 0.517 . . . . 0.0 110.446 174.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 580' ' ' TRP . . . . . 0.539 ' CE2' ' HE2' ' A' ' 595' ' ' LYS . 63.9 t90 -68.42 -40.83 81.09 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 175.213 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 581' ' ' LEU . . . . . 0.984 HD13 ' HG3' ' A' ' 543' ' ' GLU . 15.3 mt -60.59 -49.28 78.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.817 -1.083 . . . . 0.0 112.013 179.294 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -61.0 -21.51 63.64 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.493 0.663 . . . . 0.0 110.485 178.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -94.66 -3.77 48.84 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.902 -177.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 584' ' ' ASN . . . . . 0.672 ' OD1' ' HA ' ' A' ' 581' ' ' LEU . 12.9 p-10 -144.58 51.06 1.27 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.672 0.748 . . . . 0.0 111.549 -176.222 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 15.3 p -62.97 -15.25 55.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.812 -0.555 . . . . 0.0 111.652 -177.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -113.74 7.41 17.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.393 -178.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 587' ' ' ALA . . . . . 0.551 ' HB2' ' HB2' ' A' ' 584' ' ' ASN . . . -49.69 153.39 1.23 Allowed 'General case' 0 C--O 1.236 0.346 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -177.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -58.21 144.78 39.61 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 172.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 589' ' ' LYS . . . . . 0.404 ' H ' ' HG2' ' A' ' 589' ' ' LYS . 28.5 pttt -61.77 -36.0 79.77 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.006 -175.592 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 590' ' ' ASP . . . . . 0.405 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 2.8 m-20 -62.97 -24.94 68.13 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.468 176.753 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 591' ' ' GLU . . . . . 0.55 ' HA ' ' OE1' ' A' ' 591' ' ' GLU . 0.5 OUTLIER -65.16 -44.45 88.49 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 120.319 -0.552 . . . . 0.0 110.456 177.925 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 592' ' ' PHE . . . . . 0.639 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 65.9 m-85 -66.47 -32.5 73.91 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.555 177.199 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 593' ' ' GLU . . . . . 0.546 ' O ' ' HG2' ' A' ' 597' ' ' LYS . 50.1 mm-40 -66.28 -48.92 68.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.893 176.17 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 594' ' ' HIS . . . . . 0.446 ' O ' ' HG3' ' A' ' 598' ' ' GLU . 24.6 m170 -63.54 -47.62 80.86 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 121.134 0.492 . . . . 0.0 109.824 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 595' ' ' LYS . . . . . 0.539 ' HE2' ' CE2' ' A' ' 580' ' ' TRP . 0.2 OUTLIER -61.29 -34.43 75.2 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.198 -177.579 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 596' ' ' ARG . . . . . 0.497 ' HB2' ' O ' ' A' ' 592' ' ' PHE . 10.5 ttm180 -62.43 -39.97 95.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.688 177.301 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 597' ' ' LYS . . . . . 0.586 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 22.0 mmtp -66.5 -40.82 89.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.769 177.203 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 598' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 594' ' ' HIS . 51.0 mt-10 -60.36 -55.16 37.0 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.889 0.852 . . . . 0.0 110.843 177.516 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.667 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.5 tm? -58.26 -41.62 84.69 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.573 -1.194 . . . . 0.0 109.384 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 600' ' ' GLU . . . . . 0.619 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 27.3 tt0 -58.2 -41.17 83.39 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.083 178.456 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 601' ' ' GLN . . . . . 0.586 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 85.9 mt-30 -69.31 -27.56 65.49 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -179.421 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 602' ' ' VAL . . . . . 0.667 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.3 p -75.06 -39.02 43.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 C-N-CA 120.164 -0.614 . . . . 0.0 110.353 177.39 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 603' ' ' CYS . . . . . 0.657 ' HB2' HD13 ' A' ' 607' ' ' ILE . 25.0 p -82.57 -25.97 32.81 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.3 -178.527 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 604' ' ' ASN . . . . . 0.629 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 49.7 t30 -50.27 -54.47 33.81 Favored Pre-proline 0 CA--C 1.539 0.536 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -174.738 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 605' ' ' PRO . . . . . 0.629 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 45.9 Cg_exo -61.23 -21.71 72.51 Favored 'Trans proline' 0 C--N 1.359 1.121 0 C-N-CA 122.043 1.829 . . . . 0.0 112.361 -178.649 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 606' ' ' ILE . . . . . 0.784 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -90.0 -39.68 12.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.103 -178.561 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 607' ' ' ILE . . . . . 0.657 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.2 mp -64.59 -24.55 35.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.283 -178.319 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 16.6 m -55.67 -28.47 55.68 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.796 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -118.14 23.24 9.33 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.514 -0.85 . . . . 0.0 112.741 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 610' ' ' LEU . . . . . 0.697 HD21 ' HB ' ' A' ' 562' ' ' ILE . 50.0 mt . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.515 -0.755 . . . . 0.0 110.458 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 538' ' ' ALA . . . . . 0.667 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . . . . . . 0 CA--C 1.529 0.138 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 539' ' ' LYS . . . . . 0.592 ' HE2' ' HB3' ' A' ' 581' ' ' LEU . 13.3 tmtt? -61.06 -46.93 88.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.116 0.484 . . . . 0.0 110.154 178.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -63.72 -45.47 89.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.635 -179.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -63.16 -42.51 99.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.83 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.749 HD12 HG21 ' A' ' 577' ' ' VAL . 0.5 OUTLIER -61.92 -47.23 85.85 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.456 -178.478 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 543' ' ' GLU . . . . . 0.497 ' HG3' HD13 ' A' ' 581' ' ' LEU . 3.3 tt0 -63.22 -49.17 75.24 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.189 -179.339 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 42.9 m -62.74 -33.1 74.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.042 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 545' ' ' TYR . . . . . 0.568 ' CD1' HD12 ' A' ' 599' ' ' LEU . 3.0 t80 -67.77 -49.76 60.76 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 178.04 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -66.1 -43.27 87.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.603 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -57.29 -41.12 79.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.572 175.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -63.69 -49.48 72.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.572 -178.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 549' ' ' MET . . . . . 0.457 ' HG2' ' O ' ' A' ' 545' ' ' TYR . 18.3 mmt -65.49 -43.66 89.53 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.343 0.592 . . . . 0.0 110.211 -178.643 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 550' ' ' LYS . . . . . 0.595 ' HG3' HD23 ' A' ' 571' ' ' LEU . 3.5 ttmm -57.88 -47.62 82.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.167 177.294 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 21.7 t -66.37 -37.33 85.05 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.9 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -63.27 -45.91 89.3 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -177.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 553' ' ' VAL . . . . . 0.839 HG11 HG11 ' A' ' 570' ' ' VAL . 34.4 m -76.69 -35.19 24.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.307 0.575 . . . . 0.0 111.308 -178.483 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 554' ' ' GLU . . . . . 0.61 ' HA ' ' HE3' ' A' ' 567' ' ' LYS . 0.2 OUTLIER -85.63 3.32 41.39 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.844 -179.723 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 555' ' ' ASP . . . . . 0.643 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 17.0 t70 -69.74 133.43 47.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.018 176.488 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 556' ' ' GLU . . . . . 0.908 ' HA ' ' HE3' ' A' ' 559' ' ' LYS . 40.9 mt-10 -70.51 -9.5 56.8 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.493 -175.544 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -100.52 -32.72 5.35 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.558 -0.829 . . . . 0.0 111.188 176.08 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 1.018 HD23 ' HD2' ' A' ' 561' ' ' LYS . 4.1 mt -83.23 -15.27 51.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.497 -0.351 . . . . 0.0 111.664 179.54 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 559' ' ' LYS . . . . . 0.908 ' HE3' ' HA ' ' A' ' 556' ' ' GLU . 19.4 ptpt -61.06 128.32 35.85 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 172.306 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 103.29 -31.36 8.81 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.406 -0.902 . . . . 0.0 111.334 -173.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 561' ' ' LYS . . . . . 1.018 ' HD2' HD23 ' A' ' 558' ' ' LEU . 84.3 mttt -74.49 -36.09 63.26 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 173.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 562' ' ' ILE . . . . . 0.84 ' HB ' HD21 ' A' ' 610' ' ' LEU . 5.6 tt -107.76 153.68 9.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.226 175.595 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 20.0 m -82.36 149.92 27.45 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 176.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -54.53 -43.74 72.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.516 0.198 . . . . 0.0 111.202 -175.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -57.62 -43.31 84.68 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.588 -178.364 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 566' ' ' ASP . . . . . 0.545 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 14.1 m-20 -67.4 -46.13 74.15 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.128 0.489 . . . . 0.0 109.846 178.448 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.626 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 77.0 tttt -54.84 -48.01 73.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.852 175.751 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -65.18 -44.8 87.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.762 -178.025 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 569' ' ' LYS . . . . . 0.545 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 4.8 ptmt -65.72 -43.18 89.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.361 -175.739 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 570' ' ' VAL . . . . . 0.839 HG11 HG11 ' A' ' 553' ' ' VAL . 12.1 p -69.85 -39.88 78.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.131 -179.291 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 571' ' ' LEU . . . . . 0.595 HD23 ' HG3' ' A' ' 550' ' ' LYS . 32.7 mt -61.24 -47.31 86.66 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.832 0.348 . . . . 0.0 110.661 178.008 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -63.07 -42.84 99.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.929 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 573' ' ' LYS . . . . . 0.597 ' CG ' HG11 ' A' ' 602' ' ' VAL . 50.7 tptt -66.07 -42.43 89.42 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.955 177.218 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 574' ' ' CYS . . . . . 0.483 ' SG ' HD21 ' A' ' 599' ' ' LEU . 94.9 m -61.14 -38.83 87.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.161 0.505 . . . . 0.0 110.376 176.766 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.49 -36.36 82.55 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.808 176.232 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.39 -56.89 16.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.339 177.129 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 577' ' ' VAL . . . . . 0.749 HG21 HD12 ' A' ' 542' ' ' LEU . 1.4 p -65.27 -41.18 90.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.5 -178.578 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 578' ' ' ILE . . . . . 0.989 ' HA ' HD12 ' A' ' 581' ' ' LEU . 17.5 mt -61.13 -44.1 97.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.65 0.262 . . . . 0.0 111.357 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 20.3 m -68.7 -31.3 70.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.066 0.46 . . . . 0.0 110.131 176.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 580' ' ' TRP . . . . . 0.623 ' CZ2' ' HG3' ' A' ' 591' ' ' GLU . 67.8 t90 -72.18 -36.49 69.27 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.96 179.067 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 581' ' ' LEU . . . . . 0.989 HD12 ' HA ' ' A' ' 578' ' ' ILE . 35.9 mt -58.5 -44.16 89.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.718 0.77 . . . . 0.0 110.339 176.33 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -71.61 -21.33 61.86 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.829 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -96.45 -32.95 12.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 112.124 -176.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 584' ' ' ASN . . . . . 0.488 ' HB3' ' HB2' ' A' ' 587' ' ' ALA . 3.1 m-20 -118.68 47.47 1.63 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.326 0.584 . . . . 0.0 109.528 178.784 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 585' ' ' THR . . . . . 0.562 HG23 ' HE3' ' A' ' 539' ' ' LYS . 0.2 OUTLIER -61.74 -20.67 63.78 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.204 179.015 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 586' ' ' LEU . . . . . 0.429 HD22 ' N ' ' A' ' 586' ' ' LEU . 2.4 mm? -98.7 6.8 46.73 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.786 -177.287 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 587' ' ' ALA . . . . . 0.488 ' HB2' ' HB3' ' A' ' 584' ' ' ASN . . . -56.9 158.57 4.72 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.997 177.325 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -76.33 160.75 29.32 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.767 177.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.29 -44.24 83.89 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.921 0.391 . . . . 0.0 111.344 -175.303 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 590' ' ' ASP . . . . . 0.437 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 5.9 p-10 -64.78 -24.98 67.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.791 179.731 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 591' ' ' GLU . . . . . 0.623 ' HG3' ' CZ2' ' A' ' 580' ' ' TRP . 5.8 tp10 -62.79 -49.33 75.37 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 176.092 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 592' ' ' PHE . . . . . 0.667 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 94.5 m-85 -63.99 -40.82 97.22 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.088 177.219 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 593' ' ' GLU . . . . . 0.551 ' O ' ' HG2' ' A' ' 597' ' ' LYS . 5.9 mm-40 -59.65 -38.5 81.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.4 -178.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 28.4 m80 -65.88 -38.36 88.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.876 0.37 . . . . 0.0 110.308 174.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 595' ' ' LYS . . . . . 0.444 ' HD3' ' HA ' ' A' ' 595' ' ' LYS . 5.7 tppt? -66.6 -36.43 82.59 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.119 178.104 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 596' ' ' ARG . . . . . 0.7 ' HB2' HD21 ' A' ' 542' ' ' LEU . 41.1 ttp85 -60.49 -37.32 80.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.596 177.085 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 597' ' ' LYS . . . . . 0.593 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 28.7 mmtp -69.51 -43.65 72.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.356 176.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -59.73 -53.11 61.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.213 0.53 . . . . 0.0 111.325 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.721 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.2 tm? -59.94 -42.34 93.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.374 -179.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 600' ' ' GLU . . . . . 0.577 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 38.4 tt0 -57.47 -45.91 84.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.082 176.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 601' ' ' GLN . . . . . 0.593 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 77.7 mt-30 -63.7 -29.39 70.62 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 602' ' ' VAL . . . . . 0.721 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.4 p -76.33 -39.6 34.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.521 178.551 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 603' ' ' CYS . . . . . 0.647 ' HB2' HD13 ' A' ' 607' ' ' ILE . 25.4 p -83.31 -26.73 30.34 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.657 -177.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 604' ' ' ASN . . . . . 0.587 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 18.7 t30 -49.68 -53.52 40.76 Favored Pre-proline 0 CA--C 1.541 0.61 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -176.652 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 605' ' ' PRO . . . . . 0.587 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 53.1 Cg_exo -59.49 -24.7 75.97 Favored 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 122.085 1.856 . . . . 0.0 112.035 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 606' ' ' ILE . . . . . 0.714 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -89.74 -40.62 13.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.119 -177.753 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 607' ' ' ILE . . . . . 0.647 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -67.19 -29.83 47.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.483 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 50.1 m -62.94 -23.48 67.41 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.858 176.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -101.81 -9.19 43.72 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.911 -0.661 . . . . 0.0 111.984 177.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 610' ' ' LEU . . . . . 0.84 HD21 ' HB ' ' A' ' 562' ' ' ILE . 78.9 mt . . . . . 0 C--O 1.246 0.871 0 CA-C-O 118.477 -0.773 . . . . 0.0 110.216 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 538' ' ' ALA . . . . . 0.435 ' O ' ' HB2' ' A' ' 542' ' ' LEU . . . . . . . . 0 C--O 1.226 -0.144 0 CA-C-O 120.343 0.116 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -66.18 -45.44 80.85 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 177.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -64.47 -46.72 81.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.17 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -58.0 -48.79 78.95 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.994 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.766 HD21 ' HB2' ' A' ' 596' ' ' ARG . 0.5 OUTLIER -61.28 -47.56 85.44 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.641 -177.698 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 543' ' ' GLU . . . . . 0.502 ' CB ' HD13 ' A' ' 581' ' ' LEU . 8.9 tt0 -68.33 -45.93 71.58 Favored 'General case' 0 N--CA 1.439 -1.017 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.475 -176.278 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 18.9 t -65.54 -36.96 85.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.122 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 545' ' ' TYR . . . . . 0.526 ' CD1' HD12 ' A' ' 599' ' ' LEU . 1.4 t80 -61.76 -49.45 76.35 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 176.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.74 -40.42 92.12 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.639 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -59.11 -44.39 91.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.206 173.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 61.8 m-20 -61.7 -47.32 85.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.886 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 549' ' ' MET . . . . . . . . . . . . . 28.1 mmt -64.77 -43.77 92.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.373 0.606 . . . . 0.0 110.403 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 550' ' ' LYS . . . . . 0.787 ' HG3' HD23 ' A' ' 571' ' ' LEU . 4.7 ttmm -59.64 -45.53 91.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.935 -1.03 . . . . 0.0 110.844 176.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 58.0 m -66.81 -34.98 79.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.684 177.314 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -65.74 -45.82 81.19 Favored 'General case' 0 C--O 1.224 -0.289 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -176.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 553' ' ' VAL . . . . . 0.776 HG11 HG11 ' A' ' 570' ' ' VAL . 26.4 m -75.03 -34.61 32.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.618 0.723 . . . . 0.0 111.186 -179.15 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 554' ' ' GLU . . . . . 0.507 ' HB2' ' O ' ' A' ' 550' ' ' LYS . 1.6 mm-40 -86.54 3.53 43.82 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.363 178.662 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 555' ' ' ASP . . . . . 0.449 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 28.8 t70 -68.53 141.87 55.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.772 178.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -69.77 -12.93 62.01 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -176.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 557' ' ' GLY . . . . . 0.531 ' O ' ' HE3' ' A' ' 561' ' ' LYS . . . -100.91 -28.23 7.04 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.505 -0.855 . . . . 0.0 111.686 178.042 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.97 HD23 ' HD2' ' A' ' 561' ' ' LYS . 10.4 mt -98.27 -6.09 31.77 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 111.609 0.226 . . . . 0.0 111.609 -179.037 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -56.92 -37.53 71.6 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -177.019 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . -93.81 -6.61 62.0 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.034 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 561' ' ' LYS . . . . . 0.97 ' HD2' HD23 ' A' ' 558' ' ' LEU . 85.1 mttt -81.92 -34.6 29.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.108 0.48 . . . . 0.0 110.529 -178.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 562' ' ' ILE . . . . . 0.859 ' HB ' HD21 ' A' ' 610' ' ' LEU . 5.5 tt -106.92 153.57 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.604 -177.44 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 563' ' ' SER . . . . . 0.46 ' HB3' ' OD2' ' A' ' 566' ' ' ASP . 32.9 t -82.17 155.13 25.13 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.169 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 564' ' ' GLU . . . . . 0.436 ' HB3' ' HE3' ' A' ' 568' ' ' LYS . 29.9 mt-10 -54.88 -48.16 73.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.611 0.243 . . . . 0.0 111.065 -175.121 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -57.74 -42.54 84.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.246 -176.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 566' ' ' ASP . . . . . 0.498 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 21.5 m-20 -67.22 -49.73 63.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.33 0.586 . . . . 0.0 109.78 179.193 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.614 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 81.2 tttt -53.93 -47.78 70.87 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.758 -1.11 . . . . 0.0 111.228 176.59 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 568' ' ' LYS . . . . . 0.436 ' HE3' ' HB3' ' A' ' 564' ' ' GLU . 94.9 mttt -63.46 -47.18 82.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.577 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 569' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 0.0 OUTLIER -64.28 -41.76 96.74 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.3 -173.475 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 570' ' ' VAL . . . . . 0.776 HG11 HG11 ' A' ' 553' ' ' VAL . 12.6 p -70.95 -42.15 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.307 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 571' ' ' LEU . . . . . 0.787 HD23 ' HG3' ' A' ' 550' ' ' LYS . 20.0 mt -59.01 -49.43 77.91 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.266 0.555 . . . . 0.0 110.228 177.395 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -61.31 -45.1 95.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.329 -178.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 573' ' ' LYS . . . . . 0.589 ' CG ' HG11 ' A' ' 602' ' ' VAL . 47.5 tptt -64.75 -42.23 95.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.851 177.436 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 574' ' ' CYS . . . . . 0.423 ' SG ' HD21 ' A' ' 599' ' ' LEU . 99.2 m -59.86 -38.53 82.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.567 177.494 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -66.78 -38.74 87.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.116 177.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -59.32 -53.89 53.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.792 0.33 . . . . 0.0 110.917 178.214 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 577' ' ' VAL . . . . . 0.632 HG21 HD12 ' A' ' 542' ' ' LEU . 1.5 p -64.05 -40.66 89.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.996 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 578' ' ' ILE . . . . . 0.936 ' HA ' HD12 ' A' ' 581' ' ' LEU . 19.7 mt -62.74 -43.92 99.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-O 120.772 0.32 . . . . 0.0 111.692 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 15.8 t -69.56 -25.1 63.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.157 0.503 . . . . 0.0 110.204 176.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 580' ' ' TRP . . . . . 0.54 ' CH2' ' ND2' ' A' ' 584' ' ' ASN . 85.3 t90 -75.05 -37.05 61.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.817 -0.628 . . . . 0.0 109.668 176.556 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 581' ' ' LEU . . . . . 0.936 HD12 ' HA ' ' A' ' 578' ' ' ILE . 37.4 mt -61.18 -42.19 98.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.366 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -63.91 -33.97 76.91 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.349 0.595 . . . . 0.0 109.885 175.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -81.07 -33.7 33.23 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.263 -0.881 . . . . 0.0 112.452 -173.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 584' ' ' ASN . . . . . 0.557 ' OD1' ' HA ' ' A' ' 581' ' ' LEU . 9.6 p-10 -98.28 43.65 1.06 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.435 0.636 . . . . 0.0 111.177 -176.343 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.67 -12.1 14.72 Favored 'General case' 0 C--N 1.315 -0.898 0 O-C-N 122.011 -0.43 . . . . 0.0 111.976 -174.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -109.6 5.65 23.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.368 -179.194 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 587' ' ' ALA . . . . . 0.421 ' HB2' ' HB2' ' A' ' 584' ' ' ASN . . . -66.61 155.96 36.42 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.369 0.604 . . . . 0.0 110.967 179.616 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -99.47 176.17 5.59 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.985 175.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -55.51 -45.18 77.11 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -169.117 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 590' ' ' ASP . . . . . 0.662 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 10.1 p-10 -66.39 -24.96 66.57 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -175.736 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -63.93 -48.98 74.42 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.215 0.531 . . . . 0.0 109.727 172.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 592' ' ' PHE . . . . . 0.453 ' O ' HD21 ' A' ' 542' ' ' LEU . 88.2 m-85 -64.23 -41.84 96.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.748 176.348 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 593' ' ' GLU . . . . . 0.662 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 38.2 mm-40 -59.38 -42.79 92.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.294 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -59.53 -43.43 93.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.046 0.451 . . . . 0.0 110.283 174.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 595' ' ' LYS . . . . . 0.73 ' HE2' ' OE1' ' A' ' 598' ' ' GLU . 0.1 OUTLIER -68.76 -36.56 78.5 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.241 -176.437 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 596' ' ' ARG . . . . . 0.766 ' HB2' HD21 ' A' ' 542' ' ' LEU . 49.8 ttp85 -57.25 -44.82 84.21 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.33 177.262 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 597' ' ' LYS . . . . . 0.66 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 22.6 mmmt -60.19 -43.42 95.92 Favored 'General case' 0 CA--C 1.523 -0.089 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.906 178.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 598' ' ' GLU . . . . . 0.73 ' OE1' ' HE2' ' A' ' 595' ' ' LYS . 51.8 mt-10 -59.31 -55.62 32.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.867 179.248 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.679 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.0 tm? -59.26 -42.51 91.31 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.788 -1.096 . . . . 0.0 109.714 -177.642 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 600' ' ' GLU . . . . . 0.578 ' HG3' ' O ' ' A' ' 596' ' ' ARG . 44.2 mt-10 -56.14 -45.27 79.65 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 116.775 -0.193 . . . . 0.0 110.509 175.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 601' ' ' GLN . . . . . 0.66 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 50.2 mt-30 -65.8 -29.48 69.97 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -177.523 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 602' ' ' VAL . . . . . 0.679 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.7 p -76.01 -39.14 36.55 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.574 178.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 603' ' ' CYS . . . . . 0.69 ' HB2' HD13 ' A' ' 607' ' ' ILE . 22.1 p -82.53 -26.51 32.41 Favored 'General case' 0 C--O 1.219 -0.515 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.454 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 604' ' ' ASN . . . . . 0.609 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 26.7 t30 -50.11 -54.06 37.27 Favored Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -176.658 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 605' ' ' PRO . . . . . 0.609 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 44.2 Cg_exo -60.75 -22.31 72.89 Favored 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 122.301 2.001 . . . . 0.0 112.365 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 606' ' ' ILE . . . . . 0.786 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -91.19 -40.35 12.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.14 -178.688 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 607' ' ' ILE . . . . . 0.69 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.2 mp -65.65 -30.01 48.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.178 -178.043 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 6.7 p -66.67 -16.89 64.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.815 0.34 . . . . 0.0 111.025 177.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -113.53 11.14 23.7 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.21 178.038 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 610' ' ' LEU . . . . . 0.859 HD21 ' HB ' ' A' ' 562' ' ' ILE . 48.1 mt . . . . . 0 C--O 1.251 1.151 0 CA-C-O 118.621 -0.704 . . . . 0.0 110.605 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 538' ' ' ALA . . . . . 0.537 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . . . . . . 0 C--O 1.222 -0.393 0 CA-C-O 119.888 -0.101 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 539' ' ' LYS . . . . . 0.536 ' NZ ' ' HB3' ' A' ' 581' ' ' LEU . 3.7 tmtm? -56.5 -47.54 79.06 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -65.61 -47.55 75.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.261 -177.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 541' ' ' ALA . . . . . 0.478 ' O ' ' HB2' ' A' ' 545' ' ' TYR . . . -64.57 -40.7 96.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.986 0.422 . . . . 0.0 110.587 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.914 HD12 HD21 ' A' ' 581' ' ' LEU . 2.8 tm? -65.37 -48.16 73.89 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.398 -177.25 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 543' ' ' GLU . . . . . 0.809 ' HG3' HD13 ' A' ' 581' ' ' LEU . 21.5 tt0 -68.86 -47.86 64.88 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 120.577 0.227 . . . . 0.0 110.795 -176.318 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 544' ' ' SER . . . . . 0.498 ' O ' ' HB2' ' A' ' 548' ' ' ASN . 21.5 m -62.73 -29.39 70.64 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.284 178.596 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 545' ' ' TYR . . . . . 0.499 ' CD1' HD12 ' A' ' 599' ' ' LEU . 2.4 t80 -61.76 -49.7 75.36 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.371 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -66.09 -43.06 88.39 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.363 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 547' ' ' PHE . . . . . 0.462 ' HB2' ' HA ' ' A' ' 544' ' ' SER . 3.9 m-85 -56.64 -39.09 73.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.81 175.185 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 548' ' ' ASN . . . . . 0.498 ' HB2' ' O ' ' A' ' 544' ' ' SER . 2.5 t-20 -67.41 -49.05 65.47 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.094 -175.648 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 549' ' ' MET . . . . . 0.412 ' HE3' ' HB3' ' A' ' 548' ' ' ASN . 22.1 mmt -65.51 -42.84 91.63 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.431 0.634 . . . . 0.0 109.974 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 550' ' ' LYS . . . . . 0.56 ' HG3' HD23 ' A' ' 571' ' ' LEU . 2.3 ttmm -58.35 -46.54 86.06 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.816 -1.084 . . . . 0.0 111.062 176.179 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 20.0 t -65.83 -36.18 82.75 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.031 178.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -64.17 -45.94 86.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.733 -177.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 553' ' ' VAL . . . . . 0.749 HG11 HG11 ' A' ' 570' ' ' VAL . 34.1 m -76.88 -35.27 23.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.147 0.499 . . . . 0.0 111.449 -178.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 554' ' ' GLU . . . . . 0.62 ' HG2' HD11 ' A' ' 571' ' ' LEU . 0.9 OUTLIER -85.64 3.98 38.45 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.05 179.626 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 555' ' ' ASP . . . . . 0.6 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 13.0 t70 -64.67 136.05 56.56 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 172.125 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 556' ' ' GLU . . . . . 0.677 ' HA ' ' HE3' ' A' ' 559' ' ' LYS . 1.8 pm0 -69.57 -12.0 61.29 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -172.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -101.49 -35.26 4.16 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 119.977 -1.106 . . . . 0.0 111.04 177.352 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.801 ' HA ' ' HG3' ' A' ' 561' ' ' LYS . 29.3 mt -78.37 -17.19 56.83 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.534 -0.333 . . . . 0.0 111.479 179.27 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 559' ' ' LYS . . . . . 0.677 ' HE3' ' HA ' ' A' ' 556' ' ' GLU . 22.2 pttp -71.92 98.62 2.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.875 0.845 . . . . 0.0 109.533 173.295 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 127.93 -29.59 4.13 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 110.075 -1.21 . . . . 0.0 110.075 -170.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 561' ' ' LYS . . . . . 0.801 ' HG3' ' HA ' ' A' ' 558' ' ' LEU . 28.5 mmtm -73.99 -37.32 64.47 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 171.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 562' ' ' ILE . . . . . 0.776 ' HB ' HD21 ' A' ' 610' ' ' LEU . 5.5 tt -105.64 152.15 7.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 114.414 -1.267 . . . . 0.0 109.342 177.256 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 563' ' ' SER . . . . . 0.417 ' HB3' ' OD1' ' A' ' 566' ' ' ASP . 32.8 t -71.25 147.63 48.02 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 177.691 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -58.67 -35.63 72.88 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.249 -177.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -60.59 -43.33 97.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.564 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 566' ' ' ASP . . . . . 0.627 ' HB3' ' HB ' ' A' ' 606' ' ' ILE . 7.9 m-20 -70.0 -44.98 68.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.08 0.466 . . . . 0.0 109.958 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.608 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 52.7 tttm -54.67 -47.87 73.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.958 174.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -65.6 -49.13 69.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.862 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 569' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 18.5 ptmt -61.62 -43.3 99.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.395 -174.562 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 570' ' ' VAL . . . . . 0.749 HG11 HG11 ' A' ' 553' ' ' VAL . 11.6 p -70.73 -40.34 76.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.886 -179.093 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 571' ' ' LEU . . . . . 0.62 HD11 ' HG2' ' A' ' 554' ' ' GLU . 35.5 mt -60.68 -47.36 86.59 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.744 0.306 . . . . 0.0 110.431 177.354 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -59.57 -47.26 86.26 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.414 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 573' ' ' LYS . . . . . 0.662 ' O ' HG12 ' A' ' 577' ' ' VAL . 49.6 tptt -64.62 -41.61 96.07 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.83 178.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 574' ' ' CYS . . . . . 0.533 ' SG ' HD21 ' A' ' 599' ' ' LEU . 97.5 m -61.34 -38.41 86.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.905 0.383 . . . . 0.0 110.452 177.573 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -66.8 -36.88 83.42 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.037 175.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 576' ' ' GLU . . . . . 0.406 ' HB3' ' O ' ' A' ' 573' ' ' LYS . 0.1 OUTLIER -58.54 -55.28 37.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.954 0.406 . . . . 0.0 110.254 176.305 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 577' ' ' VAL . . . . . 0.662 HG12 ' O ' ' A' ' 573' ' ' LYS . 1.3 p -66.21 -41.85 89.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.741 -178.583 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 578' ' ' ILE . . . . . 0.914 ' HA ' HD12 ' A' ' 581' ' ' LEU . 21.0 mt -63.2 -40.19 88.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 111.525 0.194 . . . . 0.0 111.525 -179.279 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 56.3 m -70.38 -30.81 67.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 110.557 175.482 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 51.3 t90 -68.7 -37.81 79.82 Favored 'General case' 0 C--O 1.222 -0.385 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 581' ' ' LEU . . . . . 0.914 HD12 ' HA ' ' A' ' 578' ' ' ILE . 16.1 mt -59.53 -48.04 83.2 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.225 176.663 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -64.87 -34.22 77.86 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.455 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -82.03 -31.42 30.98 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.598 -178.129 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 584' ' ' ASN . . . . . 0.501 ' HB3' ' HB2' ' A' ' 587' ' ' ALA . 5.2 m-20 -119.62 52.97 1.07 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.363 -176.58 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 1.3 p -67.28 -19.83 65.55 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.656 0.741 . . . . 0.0 110.773 173.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -90.13 5.18 47.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.752 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 587' ' ' ALA . . . . . 0.501 ' HB2' ' HB3' ' A' ' 584' ' ' ASN . . . -67.16 151.48 47.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.333 177.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -86.62 171.29 11.11 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.018 177.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 52.7 pttt -54.8 -45.08 74.32 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -171.023 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 590' ' ' ASP . . . . . 0.446 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 3.2 m-20 -61.34 -29.4 69.87 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.329 -177.063 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 591' ' ' GLU . . . . . 0.544 ' HA ' ' OE1' ' A' ' 591' ' ' GLU . 2.9 mm-40 -64.4 -44.46 91.21 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 120.584 -0.447 . . . . 0.0 110.596 178.376 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 592' ' ' PHE . . . . . 0.537 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 78.9 m-85 -65.17 -38.94 92.15 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.399 176.488 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 593' ' ' GLU . . . . . 0.499 ' O ' ' HG2' ' A' ' 597' ' ' LYS . 21.0 mm-40 -60.44 -44.22 96.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.251 177.576 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -62.88 -48.1 80.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.042 0.449 . . . . 0.0 110.284 178.113 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 595' ' ' LYS . . . . . 0.442 ' HG2' HG23 ' A' ' 577' ' ' VAL . 12.0 tppt? -63.06 -34.53 77.79 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.428 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 596' ' ' ARG . . . . . 0.525 ' HB2' HD23 ' A' ' 542' ' ' LEU . 41.2 ttp85 -61.78 -36.85 82.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.313 178.631 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 597' ' ' LYS . . . . . 0.503 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 65.6 mmtt -64.87 -43.35 93.26 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.301 0.572 . . . . 0.0 109.647 175.189 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.36 -56.86 16.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.368 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.714 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.5 tm? -58.94 -42.5 89.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.52 -177.634 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 600' ' ' GLU . . . . . 0.544 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 29.1 tt0 -57.58 -44.96 85.74 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.989 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 601' ' ' GLN . . . . . 0.503 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 48.9 mt-30 -68.73 -25.58 64.82 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 602' ' ' VAL . . . . . 0.714 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.5 p -75.58 -39.64 40.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.366 177.529 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 603' ' ' CYS . . . . . 0.614 ' HB2' HD13 ' A' ' 607' ' ' ILE . 15.1 p -82.2 -26.53 33.25 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.304 -178.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 604' ' ' ASN . . . . . 0.526 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 6.7 t30 -50.05 -52.47 52.72 Favored Pre-proline 0 N--CA 1.473 0.675 0 N-CA-C 113.215 0.821 . . . . 0.0 113.215 -175.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 605' ' ' PRO . . . . . 0.526 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 52.0 Cg_exo -59.9 -31.42 93.73 Favored 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 122.018 1.812 . . . . 0.0 112.447 178.22 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 606' ' ' ILE . . . . . 0.774 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -81.35 -40.23 17.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.184 -177.668 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 607' ' ' ILE . . . . . 0.614 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -66.11 -28.76 44.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.077 177.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 47.9 t -63.39 -23.25 67.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.386 175.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -103.34 -1.09 47.42 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.117 178.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 610' ' ' LEU . . . . . 0.776 HD21 ' HB ' ' A' ' 562' ' ' ILE . 72.2 mt . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.453 -0.784 . . . . 0.0 110.554 -178.145 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 538' ' ' ALA . . . . . 0.503 ' O ' ' HB2' ' A' ' 542' ' ' LEU . . . . . . . . 0 C--O 1.224 -0.246 0 N-CA-C 111.491 0.182 . . . . 0.0 111.491 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 539' ' ' LYS . . . . . 0.718 ' HE3' HG22 ' A' ' 585' ' ' THR . 14.1 tmtt? -62.61 -39.66 94.46 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.59 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -68.23 -47.01 68.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.647 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -63.16 -42.53 99.44 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.72 178.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 538' ' ' ALA . 0.3 OUTLIER -67.12 -47.3 71.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.179 -175.068 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 543' ' ' GLU . . . . . 0.563 ' CB ' HD13 ' A' ' 581' ' ' LEU . 12.9 tt0 -66.83 -40.99 88.18 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.112 -177.279 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 54.9 m -67.06 -31.46 71.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.561 176.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -67.59 -49.46 63.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.005 0.431 . . . . 0.0 109.879 177.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.22 -40.29 93.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.136 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -59.62 -39.04 82.96 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.691 174.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -64.98 -49.11 71.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.691 -178.258 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 549' ' ' MET . . . . . . . . . . . . . 21.9 mmt -63.36 -43.19 98.39 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-O 121.301 0.572 . . . . 0.0 109.85 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 550' ' ' LYS . . . . . 0.604 ' HG3' HD23 ' A' ' 571' ' ' LEU . 4.4 ttmm -59.79 -47.62 84.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.037 176.319 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 13.0 t -66.15 -36.61 83.58 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -63.5 -45.97 88.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.55 -177.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 553' ' ' VAL . . . . . 0.782 HG11 HG11 ' A' ' 570' ' ' VAL . 35.5 m -76.56 -34.62 24.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.181 0.515 . . . . 0.0 111.326 -178.033 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 554' ' ' GLU . . . . . 0.504 ' HB2' ' O ' ' A' ' 550' ' ' LYS . 0.0 OUTLIER -85.24 3.9 37.26 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.178 179.62 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 555' ' ' ASP . . . . . 0.472 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 20.4 t70 -70.03 142.77 52.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.643 176.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -69.42 -17.75 63.68 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -174.185 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -98.02 -38.55 4.06 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 119.642 -1.266 . . . . 0.0 111.11 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.986 HD23 ' HD2' ' A' ' 561' ' ' LYS . 16.3 mt -79.03 -12.64 60.03 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.482 -0.359 . . . . 0.0 111.772 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -65.77 -19.71 65.99 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.012 0.434 . . . . 0.0 111.049 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . -101.1 3.42 55.29 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.676 -0.774 . . . . 0.0 111.6 176.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 561' ' ' LYS . . . . . 0.986 ' HD2' HD23 ' A' ' 558' ' ' LEU . 79.5 mttt -104.48 -32.49 8.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.987 0.422 . . . . 0.0 110.838 -178.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 562' ' ' ILE . . . . . 0.784 ' HB ' HD21 ' A' ' 610' ' ' LEU . 5.9 tt -106.91 153.27 8.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.508 -179.237 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 563' ' ' SER . . . . . 0.409 ' N ' HG12 ' A' ' 562' ' ' ILE . 0.3 OUTLIER -75.53 153.86 37.21 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.769 179.36 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -55.46 -46.38 76.8 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 123.31 0.382 . . . . 0.0 110.194 -178.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -59.84 -43.3 94.66 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -177.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 566' ' ' ASP . . . . . 0.646 ' HB3' ' HB ' ' A' ' 606' ' ' ILE . 16.8 m-20 -67.61 -47.41 69.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.282 0.563 . . . . 0.0 109.776 -178.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.602 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 44.4 tttt -54.89 -47.32 74.44 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.373 174.628 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 30.7 tttp -58.63 -51.01 71.74 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.264 -0.88 . . . . 0.0 112.018 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 569' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 0.0 OUTLIER -65.38 -43.92 89.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.801 -172.69 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 570' ' ' VAL . . . . . 0.782 HG11 HG11 ' A' ' 553' ' ' VAL . 12.8 p -70.3 -40.17 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.206 -176.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 571' ' ' LEU . . . . . 0.604 HD23 ' HG3' ' A' ' 550' ' ' LYS . 39.8 mt -60.18 -48.31 82.28 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 110.408 178.085 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 572' ' ' ASP . . . . . 0.477 ' O ' ' HG3' ' A' ' 576' ' ' GLU . 11.4 t70 -61.76 -47.25 86.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.202 -178.349 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 573' ' ' LYS . . . . . 0.68 ' HG2' HG11 ' A' ' 602' ' ' VAL . 39.4 tptt -62.05 -41.82 98.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.551 177.533 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 574' ' ' CYS . . . . . 0.413 ' SG ' HD21 ' A' ' 599' ' ' LEU . 83.6 m -62.35 -38.06 88.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.293 0.568 . . . . 0.0 109.721 178.655 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 575' ' ' GLN . . . . . 0.448 ' HG2' ' HE3' ' A' ' 550' ' ' LYS . 7.4 mm-40 -63.64 -40.66 97.44 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.494 175.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 576' ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' A' ' 572' ' ' ASP . 49.0 mt-10 -58.02 -55.62 32.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.15 0.5 . . . . 0.0 110.262 178.404 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 577' ' ' VAL . . . . . 0.536 HG12 ' O ' ' A' ' 573' ' ' LYS . 1.9 p -67.12 -39.67 83.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.861 -179.309 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 578' ' ' ILE . . . . . 0.921 ' HA ' HD12 ' A' ' 581' ' ' LEU . 12.5 mt -61.88 -42.03 93.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 111.76 0.281 . . . . 0.0 111.76 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 24.6 p -69.75 -29.74 67.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.918 0.39 . . . . 0.0 110.174 177.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 59.2 t90 -70.74 -38.79 73.55 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.663 176.417 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 581' ' ' LEU . . . . . 0.921 HD12 ' HA ' ' A' ' 578' ' ' ILE . 47.1 mt -57.73 -46.59 84.24 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.936 178.29 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -68.4 -23.22 64.63 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.559 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -90.82 -30.67 16.85 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.433 -176.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 584' ' ' ASN . . . . . 0.455 ' HB3' ' HB2' ' A' ' 587' ' ' ALA . 42.4 m-80 -123.2 58.18 1.12 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.252 0.548 . . . . 0.0 111.021 -178.789 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 585' ' ' THR . . . . . 0.718 HG22 ' HE3' ' A' ' 539' ' ' LYS . 70.5 p -70.03 -17.95 63.28 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.577 0.703 . . . . 0.0 109.64 174.452 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 586' ' ' LEU . . . . . 0.447 HD22 ' N ' ' A' ' 586' ' ' LEU . 1.3 mm? -93.5 5.4 51.71 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 114.834 -1.076 . . . . 0.0 110.372 -176.603 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 587' ' ' ALA . . . . . 0.455 ' HB2' ' HB3' ' A' ' 584' ' ' ASN . . . -66.54 151.97 46.2 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.207 177.315 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -78.63 165.16 23.98 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 176.213 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 589' ' ' LYS . . . . . 0.406 ' HE3' ' HB2' ' A' ' 589' ' ' LYS . 17.4 ptmt -55.33 -42.7 74.14 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -173.553 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 590' ' ' ASP . . . . . 0.447 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 4.7 p-10 -60.43 -28.33 68.19 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -176.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 591' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 595' ' ' LYS . 3.4 mm-40 -62.8 -42.97 99.94 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 175.072 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -72.46 -38.53 68.23 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.029 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 593' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' A' ' 597' ' ' LYS . 6.5 mm-40 -60.03 -46.73 88.53 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.824 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -69.92 -37.37 75.92 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.421 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 595' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 591' ' ' GLU . 3.0 tppt? -64.27 -35.75 81.86 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.291 0.567 . . . . 0.0 109.625 179.033 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 596' ' ' ARG . . . . . 0.638 ' O ' ' HG3' ' A' ' 600' ' ' GLU . 10.3 ttp85 -57.96 -50.69 72.53 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 114.858 -1.064 . . . . 0.0 109.464 176.371 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 597' ' ' LYS . . . . . 0.652 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 13.0 mmmm -58.23 -41.32 83.89 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.423 178.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -61.11 -53.49 56.37 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.9 0.857 . . . . 0.0 111.144 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.675 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.4 tm? -59.31 -40.57 86.67 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.688 179.205 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 600' ' ' GLU . . . . . 0.638 ' HG3' ' O ' ' A' ' 596' ' ' ARG . 32.5 mt-10 -58.8 -37.15 75.7 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.172 176.063 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 601' ' ' GLN . . . . . 0.652 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 76.3 mt-30 -66.2 -31.83 72.89 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 111.589 0.218 . . . . 0.0 111.589 178.661 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 602' ' ' VAL . . . . . 0.68 HG11 ' HG2' ' A' ' 573' ' ' LYS . 1.5 p -75.45 -40.28 41.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.024 -0.67 . . . . 0.0 111.114 179.292 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 603' ' ' CYS . . . . . 0.765 ' HB2' HD13 ' A' ' 607' ' ' ILE . 25.1 p -83.08 -25.08 32.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.906 -177.381 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 604' ' ' ASN . . . . . 0.626 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 15.9 t30 -48.72 -55.49 19.57 Favored Pre-proline 0 N--CA 1.473 0.705 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -177.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 605' ' ' PRO . . . . . 0.626 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 51.7 Cg_exo -58.51 -25.12 72.82 Favored 'Trans proline' 0 C--N 1.357 1.01 0 C-N-CA 122.032 1.821 . . . . 0.0 112.536 -179.504 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 606' ' ' ILE . . . . . 0.781 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -91.37 -40.38 12.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.562 -175.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 607' ' ' ILE . . . . . 0.765 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.2 mp -68.29 -22.42 27.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 C-N-CA 123.523 0.729 . . . . 0.0 111.971 -176.159 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 13.1 m -56.68 -29.45 62.37 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -113.15 10.73 24.61 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.443 -0.884 . . . . 0.0 112.717 -177.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 610' ' ' LEU . . . . . 0.784 HD21 ' HB ' ' A' ' 562' ' ' ILE . 52.1 mt . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.56 -0.733 . . . . 0.0 110.541 -177.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 538' ' ' ALA . . . . . 0.492 ' O ' ' HB2' ' A' ' 542' ' ' LEU . . . . . . . . 0 CA--C 1.52 -0.205 0 N-CA-C 111.222 0.082 . . . . 0.0 111.222 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -67.81 -46.89 70.63 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -62.57 -43.24 99.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.539 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -62.73 -44.47 96.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.425 177.249 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.628 HD21 ' HB2' ' A' ' 596' ' ' ARG . 0.2 OUTLIER -63.56 -47.34 81.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.424 -178.146 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 543' ' ' GLU . . . . . 0.477 ' HG3' HD13 ' A' ' 581' ' ' LEU . 5.4 tt0 -63.61 -49.18 74.33 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.388 -177.299 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 60.5 m -64.71 -32.33 73.96 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.04 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 545' ' ' TYR . . . . . 0.431 ' CD1' HD12 ' A' ' 599' ' ' LEU . 2.0 t80 -66.07 -49.29 68.15 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.235 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -63.14 -44.73 94.71 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 178.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -56.22 -41.47 75.72 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.535 176.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -59.56 -50.23 74.7 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.571 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 549' ' ' MET . . . . . . . . . . . . . 22.0 mmt -66.3 -43.86 85.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.357 0.599 . . . . 0.0 110.176 -178.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 550' ' ' LYS . . . . . 0.596 ' HG3' HD23 ' A' ' 571' ' ' LEU . 4.2 ttmm -59.44 -48.87 79.99 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.882 -1.053 . . . . 0.0 111.416 177.654 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 6.2 t -66.55 -35.4 80.14 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.867 179.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -64.76 -45.63 85.6 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 553' ' ' VAL . . . . . 0.822 HG11 HG11 ' A' ' 570' ' ' VAL . 29.6 m -74.4 -35.84 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.308 0.575 . . . . 0.0 111.109 -178.317 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 554' ' ' GLU . . . . . 0.721 ' HG2' HD11 ' A' ' 571' ' ' LEU . 3.5 mm-40 -86.4 5.05 36.82 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.827 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 555' ' ' ASP . . . . . 0.563 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 25.9 t70 -68.44 138.53 55.36 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.098 177.714 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 556' ' ' GLU . . . . . 0.441 ' O ' ' HE3' ' A' ' 559' ' ' LYS . 9.5 mm-40 -70.11 -12.3 61.5 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -177.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -101.46 -32.31 5.22 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.219 -0.991 . . . . 0.0 111.073 177.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.563 ' HB2' ' HB3' ' A' ' 555' ' ' ASP . 15.5 mt -87.24 -7.62 57.69 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.709 0.29 . . . . 0.0 111.47 178.527 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 559' ' ' LYS . . . . . 0.441 ' HE3' ' O ' ' A' ' 556' ' ' GLU . 21.5 pttp -65.38 124.12 21.42 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 172.534 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 106.11 -32.72 7.07 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 -172.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 561' ' ' LYS . . . . . 0.554 ' HG3' HD23 ' A' ' 558' ' ' LEU . 30.6 mmtm -69.09 -38.54 79.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.49 0.662 . . . . 0.0 109.322 174.151 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 562' ' ' ILE . . . . . 0.904 ' HB ' HD21 ' A' ' 610' ' ' LEU . 5.7 tt -109.22 150.04 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.724 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.738 178.265 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 19.0 m -82.09 163.27 22.14 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.317 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -58.77 -47.11 85.83 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 -173.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -60.93 -39.58 89.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.797 -175.299 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 566' ' ' ASP . . . . . 0.551 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 21.9 m-20 -70.45 -45.29 66.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.541 -178.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.577 ' HE2' ' O ' ' A' ' 553' ' ' VAL . 23.3 ttmt -55.91 -47.7 76.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.244 0.545 . . . . 0.0 110.048 174.502 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -62.56 -45.17 94.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.859 -177.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 569' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 18.7 ptmt -65.05 -45.53 84.98 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.533 -176.244 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 570' ' ' VAL . . . . . 0.822 HG11 HG11 ' A' ' 553' ' ' VAL . 12.5 p -70.46 -41.07 78.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.558 -177.033 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 571' ' ' LEU . . . . . 0.721 HD11 ' HG2' ' A' ' 554' ' ' GLU . 48.6 mt -59.88 -46.69 88.5 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.149 0.5 . . . . 0.0 110.197 176.73 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -63.89 -45.1 90.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.651 -178.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 573' ' ' LYS . . . . . 0.565 ' O ' HG12 ' A' ' 577' ' ' VAL . 48.2 tptt -65.62 -39.32 91.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.778 177.363 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 574' ' ' CYS . . . . . 0.6 ' SG ' HD12 ' A' ' 578' ' ' ILE . 5.5 t -60.42 -41.79 94.68 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.556 0.693 . . . . 0.0 110.066 177.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -61.17 -40.32 93.43 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 114.955 -1.021 . . . . 0.0 111.519 175.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -57.62 -56.26 24.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.969 0.414 . . . . 0.0 110.51 177.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 577' ' ' VAL . . . . . 0.565 HG12 ' O ' ' A' ' 573' ' ' LYS . 0.8 OUTLIER -63.32 -43.33 98.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.404 -179.393 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 578' ' ' ILE . . . . . 0.97 ' HA ' HD12 ' A' ' 581' ' ' LEU . 13.7 mt -61.53 -40.41 86.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.61 0.243 . . . . 0.0 111.438 -178.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 70.1 m -70.89 -30.77 67.23 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.717 176.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -71.49 -37.58 71.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.876 178.043 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 581' ' ' LEU . . . . . 0.97 HD12 ' HA ' ' A' ' 578' ' ' ILE . 23.4 mt -60.48 -46.63 89.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.74 177.188 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -65.89 -33.1 75.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.227 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -82.74 -31.7 28.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.986 -176.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 584' ' ' ASN . . . . . 0.431 ' HB3' ' HB2' ' A' ' 587' ' ' ALA . 37.8 m-80 -119.19 63.6 0.79 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.258 0.552 . . . . 0.0 111.25 -177.078 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 71.7 p -77.03 -12.3 59.92 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.955 0.883 . . . . 0.0 109.094 174.204 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 586' ' ' LEU . . . . . 0.485 HD22 ' N ' ' A' ' 586' ' ' LEU . 1.7 mm? -93.54 5.48 51.44 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 114.255 -1.339 . . . . 0.0 110.141 -179.372 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 587' ' ' ALA . . . . . 0.431 ' HB2' ' HB3' ' A' ' 584' ' ' ASN . . . -72.28 160.6 32.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.284 178.685 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -91.05 171.14 9.47 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.66 176.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 21.3 pttm -54.36 -44.7 72.41 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.285 0.564 . . . . 0.0 111.75 -173.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 590' ' ' ASP . . . . . 0.431 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 6.6 m-20 -65.56 -30.44 71.18 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.351 -174.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 591' ' ' GLU . . . . . 0.416 ' HB2' ' HB1' ' A' ' 587' ' ' ALA . 7.7 mm-40 -60.36 -41.63 94.11 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.229 0.538 . . . . 0.0 109.933 177.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 592' ' ' PHE . . . . . 0.48 ' O ' HD21 ' A' ' 542' ' ' LEU . 83.8 m-85 -67.61 -45.62 74.93 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.401 175.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 593' ' ' GLU . . . . . 0.474 ' O ' ' HG2' ' A' ' 597' ' ' LYS . 11.9 mm-40 -59.44 -36.6 76.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.55 -178.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -64.37 -43.51 94.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.179 0.514 . . . . 0.0 109.851 174.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 595' ' ' LYS . . . . . 0.443 ' HD3' ' HA ' ' A' ' 595' ' ' LYS . 0.3 OUTLIER -65.95 -35.68 81.25 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.636 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 596' ' ' ARG . . . . . 0.628 ' HB2' HD21 ' A' ' 542' ' ' LEU . 33.5 ttp85 -60.82 -37.19 81.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.91 178.461 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 597' ' ' LYS . . . . . 0.606 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 39.2 mmtm -62.26 -48.59 79.26 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 121.309 0.576 . . . . 0.0 109.856 174.284 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -60.2 -56.07 26.07 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.964 -175.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.667 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.8 tm? -59.2 -38.1 79.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.627 -177.684 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 600' ' ' GLU . . . . . 0.549 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 39.7 tt0 -58.94 -41.65 87.92 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.851 176.153 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 601' ' ' GLN . . . . . 0.606 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 90.5 mt-30 -65.17 -32.58 74.33 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -178.52 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 602' ' ' VAL . . . . . 0.667 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.6 p -74.28 -40.29 50.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.786 -179.131 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 603' ' ' CYS . . . . . 0.647 ' HA ' HD13 ' A' ' 606' ' ' ILE . 8.4 p -83.33 -27.51 29.69 Favored 'General case' 0 C--O 1.223 -0.298 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -177.529 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 604' ' ' ASN . . . . . 0.599 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 25.7 t30 -49.9 -52.27 53.66 Favored Pre-proline 0 CA--C 1.543 0.68 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -175.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 605' ' ' PRO . . . . . 0.599 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 49.2 Cg_exo -60.55 -30.67 91.12 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 122.141 1.894 . . . . 0.0 112.492 178.568 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 606' ' ' ILE . . . . . 0.668 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -81.19 -40.13 18.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.27 -178.479 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 607' ' ' ILE . . . . . 0.622 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -64.72 -29.69 48.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.342 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 48.2 m -69.0 -11.71 61.03 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.646 178.114 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -113.85 -4.45 22.81 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.949 -0.643 . . . . 0.0 111.699 177.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 610' ' ' LEU . . . . . 0.904 HD21 ' HB ' ' A' ' 562' ' ' ILE . 59.6 mt . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.592 -0.718 . . . . 0.0 110.504 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 538' ' ' ALA . . . . . 0.654 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.365 0 CA-C-O 120.439 0.162 . . . . 0.0 111.223 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 539' ' ' LYS . . . . . 0.615 ' NZ ' ' HB3' ' A' ' 581' ' ' LEU . 3.4 tmtm? -67.99 -49.56 60.91 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 177.706 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -61.96 -42.93 99.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.65 -1.159 . . . . 0.0 110.737 177.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 541' ' ' ALA . . . . . 0.438 ' O ' ' HB2' ' A' ' 545' ' ' TYR . . . -62.11 -49.45 75.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 178.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.854 HD12 HG21 ' A' ' 577' ' ' VAL . 0.5 OUTLIER -63.35 -47.87 80.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.306 -0.407 . . . . 0.0 112.062 -176.479 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 543' ' ' GLU . . . . . 0.709 ' HG3' HD13 ' A' ' 581' ' ' LEU . 10.2 tt0 -68.39 -42.4 79.13 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.022 -174.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 23.0 t -65.61 -39.44 91.53 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.051 177.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 545' ' ' TYR . . . . . 0.531 ' CZ ' ' HG2' ' A' ' 600' ' ' GLU . 1.7 t80 -62.98 -48.55 78.36 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.055 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.97 -42.98 89.19 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.473 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -56.84 -44.27 81.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.362 174.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -59.33 -49.59 77.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.793 -179.192 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 549' ' ' MET . . . . . 0.445 ' HG2' ' O ' ' A' ' 545' ' ' TYR . 24.6 mmt -65.77 -41.46 92.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.198 0.523 . . . . 0.0 110.54 -178.799 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 550' ' ' LYS . . . . . 0.719 ' HG3' HD23 ' A' ' 571' ' ' LEU . 5.2 ttmm -61.46 -46.21 91.03 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.003 177.4 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 32.9 m -65.96 -35.36 80.38 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 176.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -63.92 -45.17 90.45 Favored 'General case' 0 C--O 1.225 -0.233 0 CA-C-O 120.776 0.322 . . . . 0.0 111.839 -177.027 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 553' ' ' VAL . . . . . 0.727 HG11 HG11 ' A' ' 570' ' ' VAL . 35.2 m -77.01 -35.79 23.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.095 0.474 . . . . 0.0 111.269 -178.297 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 554' ' ' GLU . . . . . 0.491 ' HB2' ' O ' ' A' ' 550' ' ' LYS . 0.4 OUTLIER -88.0 4.27 45.66 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.677 -178.938 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 555' ' ' ASP . . . . . 0.547 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 32.5 t70 -68.29 135.82 52.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.2 0.524 . . . . 0.0 110.767 178.458 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -69.66 -9.41 54.15 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.657 -0.702 . . . . 0.0 112.498 -176.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -102.2 -28.02 6.66 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.022 175.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 1.078 HD23 ' HD2' ' A' ' 561' ' ' LYS . 4.4 mt -91.7 -11.21 37.53 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.607 0.241 . . . . 0.0 111.455 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 57.3 pttt -64.73 127.6 32.23 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.163 -0.681 . . . . 0.0 109.163 173.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 103.44 -27.32 20.37 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.753 -0.736 . . . . 0.0 111.502 -172.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 561' ' ' LYS . . . . . 1.078 ' HD2' HD23 ' A' ' 558' ' ' LEU . 81.0 mttt -78.89 -38.19 38.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.323 0.582 . . . . 0.0 109.761 176.335 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 562' ' ' ILE . . . . . 0.776 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.6 tt -106.28 150.31 9.0 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.182 -179.668 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.76 145.06 34.61 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 175.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 564' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 568' ' ' LYS . 21.5 mm-40 -59.99 -31.68 70.14 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.617 -172.396 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -61.73 -43.22 99.27 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.038 177.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 566' ' ' ASP . . . . . 0.608 ' HB3' ' HB ' ' A' ' 606' ' ' ILE . 2.2 m-20 -68.64 -45.29 72.21 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 179.138 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.555 ' HE2' ' O ' ' A' ' 553' ' ' VAL . 35.8 ttmt -54.78 -48.36 72.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.894 175.46 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 568' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 564' ' ' GLU . 57.4 mtpt -63.53 -48.98 75.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.52 -178.222 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 569' ' ' LYS . . . . . 0.473 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 18.3 ptmt -60.97 -43.85 98.19 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.433 -174.434 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 570' ' ' VAL . . . . . 0.727 HG11 HG11 ' A' ' 553' ' ' VAL . 11.1 p -70.91 -44.57 75.77 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.498 -179.154 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 571' ' ' LEU . . . . . 0.719 HD23 ' HG3' ' A' ' 550' ' ' LYS . 29.1 mt -56.88 -47.24 80.93 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.037 0.446 . . . . 0.0 110.11 178.014 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -59.46 -46.95 87.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.407 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 573' ' ' LYS . . . . . 0.616 ' CG ' HG11 ' A' ' 602' ' ' VAL . 48.7 tptt -66.84 -40.77 88.04 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 574' ' ' CYS . . . . . 0.412 ' SG ' HD21 ' A' ' 599' ' ' LEU . 87.4 m -59.34 -38.34 80.09 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.964 0.412 . . . . 0.0 110.38 176.145 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -66.13 -37.28 85.31 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.059 176.323 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.84 -53.06 62.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.781 177.651 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 577' ' ' VAL . . . . . 0.854 HG21 HD12 ' A' ' 542' ' ' LEU . 0.6 OUTLIER -66.18 -43.68 91.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.335 179.551 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 578' ' ' ILE . . . . . 0.987 ' HA ' HD12 ' A' ' 581' ' ' LEU . 26.4 mt -61.67 -40.15 85.73 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -178.134 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 20.4 p -71.66 -33.93 69.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.137 0.494 . . . . 0.0 110.589 176.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 51.3 t90 -66.21 -35.44 80.46 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 176.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 581' ' ' LEU . . . . . 0.987 HD12 ' HA ' ' A' ' 578' ' ' ILE . 17.1 mt -61.76 -47.09 86.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.612 178.57 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -62.95 -35.32 79.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.507 0.67 . . . . 0.0 109.907 177.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -75.9 -31.46 59.2 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.912 -1.04 . . . . 0.0 111.686 -177.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 584' ' ' ASN . . . . . 0.682 ' HB3' ' HB2' ' A' ' 587' ' ' ALA . 41.3 m-80 -126.5 69.83 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.662 -177.193 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.44 -29.5 52.89 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.412 0.625 . . . . 0.0 110.65 177.435 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 586' ' ' LEU . . . . . 0.448 HD22 ' N ' ' A' ' 586' ' ' LEU . 3.0 mm? -96.51 6.28 49.07 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.793 -175.315 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 587' ' ' ALA . . . . . 0.682 ' HB2' ' HB3' ' A' ' 584' ' ' ASN . . . -56.18 156.2 5.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.502 176.014 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -78.75 162.17 26.33 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.081 175.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 589' ' ' LYS . . . . . 0.768 ' HD2' ' H ' ' A' ' 590' ' ' ASP . 0.0 OUTLIER -56.22 -41.93 76.45 Favored 'General case' 0 C--N 1.316 -0.86 0 O-C-N 123.252 0.345 . . . . 0.0 111.681 -175.461 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 590' ' ' ASP . . . . . 0.768 ' H ' ' HD2' ' A' ' 589' ' ' LYS . 12.9 m-20 -57.94 -35.23 70.83 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -61.24 -45.58 93.93 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.377 0.608 . . . . 0.0 109.707 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 592' ' ' PHE . . . . . 0.654 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 82.1 m-85 -66.84 -39.24 87.55 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.627 175.494 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 593' ' ' GLU . . . . . 0.476 ' O ' ' HG2' ' A' ' 597' ' ' LYS . 19.8 mm-40 -59.28 -40.49 86.23 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.356 -178.047 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -64.63 -43.2 94.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.011 0.434 . . . . 0.0 110.085 174.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 595' ' ' LYS . . . . . 0.548 ' HA ' ' HE3' ' A' ' 595' ' ' LYS . 0.0 OUTLIER -60.68 -37.61 82.16 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.863 179.174 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 596' ' ' ARG . . . . . 0.787 ' HB2' HD21 ' A' ' 542' ' ' LEU . 53.8 ttp85 -60.83 -49.91 75.59 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.017 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 597' ' ' LYS . . . . . 0.5 ' O ' ' HG2' ' A' ' 601' ' ' GLN . 24.1 mmmt -57.69 -43.73 85.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.45 -178.585 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 598' ' ' GLU . . . . . 0.438 ' OE1' ' HE3' ' A' ' 595' ' ' LYS . 45.3 mt-10 -60.15 -50.82 72.18 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.068 178.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.697 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.4 tm? -59.35 -44.42 92.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.694 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 600' ' ' GLU . . . . . 0.669 ' HG3' ' O ' ' A' ' 596' ' ' ARG . 33.3 mt-10 -57.23 -46.29 83.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.096 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 601' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 597' ' ' LYS . 13.6 mm100 -68.32 -22.99 64.67 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -178.296 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 602' ' ' VAL . . . . . 0.697 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.3 p -76.39 -41.86 35.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.711 175.599 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 603' ' ' CYS . . . . . 0.574 ' HB2' HD13 ' A' ' 607' ' ' ILE . 6.7 p -82.96 -27.73 30.29 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.645 -176.605 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 604' ' ' ASN . . . . . 0.635 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 37.2 t30 -49.87 -52.16 54.43 Favored Pre-proline 0 CA--C 1.54 0.562 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -177.444 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 605' ' ' PRO . . . . . 0.635 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 51.2 Cg_exo -60.52 -26.28 82.47 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 122.145 1.897 . . . . 0.0 112.394 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 606' ' ' ILE . . . . . 0.776 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -85.8 -40.54 14.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.014 -179.18 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 607' ' ' ILE . . . . . 0.584 ' N ' HG12 ' A' ' 606' ' ' ILE . 1.3 mp -64.19 -27.9 43.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.292 178.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 24.5 t -61.85 -20.47 63.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.723 176.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -117.55 27.7 7.48 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.985 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 610' ' ' LEU . . . . . 0.554 HD22 HD22 ' A' ' 558' ' ' LEU . 50.1 mt . . . . . 0 C--O 1.252 1.199 0 CA-C-O 118.401 -0.809 . . . . 0.0 110.513 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 538' ' ' ALA . . . . . 0.618 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . . . . . . 0 C--O 1.222 -0.363 0 N-CA-C 111.23 0.085 . . . . 0.0 111.23 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 2.5 tmtm? -62.03 -48.77 78.8 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -178.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -64.17 -48.15 77.11 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.727 -178.014 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 541' ' ' ALA . . . . . 0.499 ' O ' ' HB2' ' A' ' 545' ' ' TYR . . . -62.39 -35.04 77.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.568 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.837 HD12 HD21 ' A' ' 581' ' ' LEU . 1.7 tm? -72.41 -48.07 44.18 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.182 -178.058 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 543' ' ' GLU . . . . . 1.026 ' HG3' HD13 ' A' ' 581' ' ' LEU . 5.9 tt0 -67.51 -47.11 70.92 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 120.771 0.319 . . . . 0.0 110.181 -178.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 48.8 m -57.73 -35.61 70.91 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.403 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 545' ' ' TYR . . . . . 0.499 ' HB2' ' O ' ' A' ' 541' ' ' ALA . 2.6 t80 -63.91 -50.28 69.35 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 178.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -66.42 -42.89 87.1 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 120.985 0.422 . . . . 0.0 110.317 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -57.41 -41.48 80.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.358 175.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 -63.66 -49.53 72.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.901 -0.591 . . . . 0.0 112.051 -178.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 549' ' ' MET . . . . . 0.445 ' HG2' ' O ' ' A' ' 545' ' ' TYR . 23.4 mmt -64.84 -41.49 95.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.454 0.645 . . . . 0.0 110.006 -179.516 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 550' ' ' LYS . . . . . 0.602 ' HG3' HD23 ' A' ' 571' ' ' LEU . 3.0 ttmm -60.34 -45.37 93.67 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.792 -1.095 . . . . 0.0 110.995 175.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 69.2 m -66.17 -36.35 82.86 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.595 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -65.08 -45.72 84.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.725 -177.13 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 553' ' ' VAL . . . . . 0.797 HG11 HG11 ' A' ' 570' ' ' VAL . 33.2 m -76.4 -36.16 28.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.286 0.565 . . . . 0.0 111.134 -179.164 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 554' ' ' GLU . . . . . 0.67 ' HA ' ' HE3' ' A' ' 567' ' ' LYS . 1.9 mm-40 -84.33 3.47 35.58 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.049 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 555' ' ' ASP . . . . . 0.54 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 30.9 t70 -64.82 132.99 51.01 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 176.13 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -70.81 -7.78 47.77 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.471 -175.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -101.87 -38.04 3.26 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.338 -0.934 . . . . 0.0 111.496 175.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.776 ' HA ' ' HD2' ' A' ' 561' ' ' LYS . 5.9 mt -80.5 -9.96 59.75 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 57.6 pttt -64.01 116.66 6.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.337 0.589 . . . . 0.0 109.466 174.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 113.76 -37.06 3.73 Favored Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -172.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 561' ' ' LYS . . . . . 0.776 ' HD2' ' HA ' ' A' ' 558' ' ' LEU . 78.8 mttt -66.63 -35.77 80.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.477 0.656 . . . . 0.0 110.215 175.388 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 562' ' ' ILE . . . . . 0.73 ' HB ' HD21 ' A' ' 610' ' ' LEU . 6.1 tt -106.11 151.19 8.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.14 174.202 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 19.6 m -70.97 143.3 50.9 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 175.027 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -59.93 -31.51 69.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.177 -176.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -62.98 -43.32 99.11 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.317 177.388 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 566' ' ' ASP . . . . . 0.627 ' HA ' ' HD3' ' A' ' 569' ' ' LYS . 36.1 m-20 -68.48 -43.37 77.1 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.687 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 86.0 tttt -54.74 -48.2 72.88 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.022 175.609 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -68.45 -44.44 74.86 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.94 -177.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 569' ' ' LYS . . . . . 0.627 ' HD3' ' HA ' ' A' ' 566' ' ' ASP . 21.2 pttt -63.9 -43.19 96.73 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.292 -176.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 570' ' ' VAL . . . . . 0.797 HG11 HG11 ' A' ' 553' ' ' VAL . 12.5 p -70.44 -40.15 77.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.663 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 571' ' ' LEU . . . . . 0.602 HD23 ' HG3' ' A' ' 550' ' ' LYS . 36.1 mt -59.06 -47.38 85.45 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 175.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -59.43 -47.1 86.77 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.699 177.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 573' ' ' LYS . . . . . 0.677 ' HZ1' ' HB3' ' A' ' 598' ' ' GLU . 48.5 tptt -63.76 -41.45 97.99 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.809 179.49 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 574' ' ' CYS . . . . . 0.562 ' SG ' HD21 ' A' ' 599' ' ' LEU . 96.6 m -62.5 -38.41 89.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.27 0.557 . . . . 0.0 109.888 177.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -65.62 -39.11 91.13 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.66 176.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.44 -55.3 36.62 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.369 176.607 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 577' ' ' VAL . . . . . 0.603 HG12 ' O ' ' A' ' 573' ' ' LYS . 1.3 p -66.68 -41.72 88.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.906 -179.236 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 578' ' ' ILE . . . . . 0.926 ' HA ' HD12 ' A' ' 581' ' ' LEU . 19.9 mt -61.25 -37.79 78.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.753 0.311 . . . . 0.0 110.968 179.221 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 45.8 m -68.83 -37.32 79.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.143 0.497 . . . . 0.0 110.191 174.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 56.3 t90 -65.12 -35.92 82.65 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.609 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 581' ' ' LEU . . . . . 1.026 HD13 ' HG3' ' A' ' 543' ' ' GLU . 14.6 mt -63.01 -47.28 83.77 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.151 -0.932 . . . . 0.0 111.646 178.656 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -64.05 -34.23 77.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.855 178.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -77.76 -31.27 51.94 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.735 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 584' ' ' ASN . . . . . 0.584 ' HB3' ' HB2' ' A' ' 587' ' ' ALA . 27.5 m-80 -118.96 63.6 0.78 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.104 -177.576 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 8.4 p -76.54 -12.83 60.09 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.948 176.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -105.28 7.09 33.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.512 -177.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 587' ' ' ALA . . . . . 0.584 ' HB2' ' HB3' ' A' ' 584' ' ' ASN . . . -62.48 153.78 30.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.009 178.431 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -85.44 170.98 12.17 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.125 176.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.21 -46.22 79.56 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -172.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 590' ' ' ASP . . . . . 0.483 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 7.6 p-10 -67.53 -22.81 65.4 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -176.676 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.88 -49.31 78.2 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 172.405 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 592' ' ' PHE . . . . . 0.618 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 84.0 m-85 -67.36 -44.45 78.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.18 179.242 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 593' ' ' GLU . . . . . 0.483 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 53.1 mt-10 -60.46 -40.93 92.99 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.715 -177.43 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -69.37 -40.49 77.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.983 0.42 . . . . 0.0 110.321 177.204 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 595' ' ' LYS . . . . . 0.456 ' HG2' HG23 ' A' ' 577' ' ' VAL . 16.9 tppt? -61.79 -36.46 81.17 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.289 175.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 596' ' ' ARG . . . . . 0.507 ' HB2' HD23 ' A' ' 542' ' ' LEU . 28.5 ttp180 -60.25 -38.47 83.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.84 178.185 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 597' ' ' LYS . . . . . 0.575 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 28.5 mmmt -64.71 -40.29 95.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.889 176.644 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 598' ' ' GLU . . . . . 0.677 ' HB3' ' HZ1' ' A' ' 573' ' ' LYS . 49.1 mt-10 -60.12 -56.25 23.91 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.688 0.756 . . . . 0.0 110.868 177.311 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.689 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.5 tm? -59.79 -40.34 87.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.728 -1.124 . . . . 0.0 109.253 -177.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 600' ' ' GLU . . . . . 0.485 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 31.9 tt0 -55.99 -47.24 78.08 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.945 177.442 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 601' ' ' GLN . . . . . 0.575 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 61.7 mt-30 -69.23 -24.16 63.97 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.484 -0.486 . . . . 0.0 112.092 -176.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 602' ' ' VAL . . . . . 0.689 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.6 p -76.27 -40.87 36.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 119.946 -0.701 . . . . 0.0 110.677 176.092 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 603' ' ' CYS . . . . . 0.608 ' HB2' HD13 ' A' ' 607' ' ' ILE . 17.3 p -83.32 -28.38 29.09 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.55 -177.445 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 604' ' ' ASN . . . . . 0.543 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 10.0 t30 -50.71 -52.1 59.67 Favored Pre-proline 0 CA--C 1.539 0.537 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -176.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 605' ' ' PRO . . . . . 0.543 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 60.7 Cg_exo -55.82 -34.25 90.74 Favored 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 122.237 1.958 . . . . 0.0 112.262 177.289 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 606' ' ' ILE . . . . . 0.674 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -81.27 -40.37 18.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.283 -176.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 607' ' ' ILE . . . . . 0.608 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -66.44 -35.58 75.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.902 -179.426 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 69.0 m -66.32 -20.54 66.12 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 120.813 0.339 . . . . 0.0 111.23 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -98.9 -9.45 52.21 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.9 178.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 610' ' ' LEU . . . . . 0.73 HD21 ' HB ' ' A' ' 562' ' ' ILE . 65.4 mt . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.693 -0.67 . . . . 0.0 110.736 -178.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 538' ' ' ALA . . . . . 0.539 ' O ' ' HB2' ' A' ' 542' ' ' LEU . . . . . . . . 0 C--O 1.227 -0.112 0 CA-C-O 120.539 0.209 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 539' ' ' LYS . . . . . 0.64 ' HE3' HG22 ' A' ' 585' ' ' THR . 13.4 tmtt? -65.01 -45.99 83.25 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 176.434 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -63.82 -47.6 80.17 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.638 177.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -58.13 -48.24 80.84 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 178.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.658 HD12 HG21 ' A' ' 577' ' ' VAL . 0.2 OUTLIER -62.0 -46.75 87.87 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.239 -177.523 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 543' ' ' GLU . . . . . 0.505 ' CB ' HD13 ' A' ' 581' ' ' LEU . 11.2 tt0 -67.05 -44.72 79.45 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.217 -176.612 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 63.7 m -66.48 -32.23 73.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.397 177.155 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 545' ' ' TYR . . . . . 0.423 ' O ' ' HG2' ' A' ' 549' ' ' MET . 4.7 t80 -66.14 -50.24 64.65 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.435 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.86 -40.51 91.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.213 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -57.63 -42.77 84.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.531 174.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -64.06 -49.11 73.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.733 -178.144 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 549' ' ' MET . . . . . 0.423 ' HG2' ' O ' ' A' ' 545' ' ' TYR . 21.3 mmt -62.96 -43.21 99.43 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.307 0.575 . . . . 0.0 109.942 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 550' ' ' LYS . . . . . 0.577 ' HG3' HD23 ' A' ' 571' ' ' LEU . 4.6 ttmm -58.36 -48.24 81.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.264 175.707 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 50.8 m -66.28 -36.28 82.57 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.605 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -64.75 -45.18 87.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.859 0.361 . . . . 0.0 111.759 -176.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 553' ' ' VAL . . . . . 0.826 HG11 HG11 ' A' ' 570' ' ' VAL . 35.0 m -75.55 -36.66 35.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.213 0.53 . . . . 0.0 111.057 -178.605 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 554' ' ' GLU . . . . . 0.693 ' HG2' HD11 ' A' ' 571' ' ' LEU . 3.8 mm-40 -86.24 4.11 40.22 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.892 -178.519 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 555' ' ' ASP . . . . . 0.603 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 29.2 t70 -65.9 141.21 58.32 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.378 0.608 . . . . 0.0 111.435 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 556' ' ' GLU . . . . . 0.589 ' O ' ' HG2' ' A' ' 559' ' ' LYS . 9.0 pt-20 -70.94 -16.61 62.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.13 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -94.2 -41.22 4.34 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.414 -0.898 . . . . 0.0 111.223 177.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.66 ' HA ' ' HG3' ' A' ' 561' ' ' LYS . 14.9 mt -80.65 1.63 29.17 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.236 -0.482 . . . . 0.0 111.947 178.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 559' ' ' LYS . . . . . 0.589 ' HG2' ' O ' ' A' ' 556' ' ' GLU . 18.1 ptpt -64.22 127.45 31.51 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 175.383 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 95.0 -20.48 48.94 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.816 -177.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 561' ' ' LYS . . . . . 0.66 ' HG3' ' HA ' ' A' ' 558' ' ' LEU . 32.1 mmtm -74.15 -35.23 64.05 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 176.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 562' ' ' ILE . . . . . 0.764 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.9 tt -111.19 151.63 13.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.887 178.725 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 24.9 m -77.64 156.18 30.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.409 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -55.25 -47.42 75.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.75 0.31 . . . . 0.0 111.123 -176.029 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -59.0 -43.13 91.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.89 -175.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 566' ' ' ASP . . . . . 0.549 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 14.4 m-20 -67.14 -47.94 69.58 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -178.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.701 ' HE2' ' O ' ' A' ' 553' ' ' VAL . 35.8 ttmt -54.95 -48.9 72.59 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.454 176.612 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -62.25 -45.62 92.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.734 -177.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 569' ' ' LYS . . . . . 0.549 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 17.4 pttt -67.34 -44.16 79.75 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.725 -175.321 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 570' ' ' VAL . . . . . 0.826 HG11 HG11 ' A' ' 553' ' ' VAL . 12.5 p -70.03 -38.57 75.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.824 -177.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 571' ' ' LEU . . . . . 0.693 HD11 ' HG2' ' A' ' 554' ' ' GLU . 35.5 mt -61.59 -49.08 78.05 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.848 0.356 . . . . 0.0 110.087 176.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -59.91 -43.94 94.57 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.399 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 573' ' ' LYS . . . . . 0.617 ' CG ' HG11 ' A' ' 602' ' ' VAL . 49.5 tptt -64.85 -42.54 94.8 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.863 177.668 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 574' ' ' CYS . . . . . 0.471 ' SG ' HD21 ' A' ' 599' ' ' LEU . 98.1 m -62.79 -39.19 93.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.537 178.232 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -64.65 -37.52 87.88 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.819 176.025 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -58.63 -55.54 33.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.646 178.132 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 577' ' ' VAL . . . . . 0.658 HG21 HD12 ' A' ' 542' ' ' LEU . 1.4 p -66.73 -40.38 85.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.723 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 578' ' ' ILE . . . . . 0.955 ' HA ' HD12 ' A' ' 581' ' ' LEU . 14.1 mt -60.97 -40.63 86.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.638 0.256 . . . . 0.0 111.584 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 13.1 p -72.67 -27.95 62.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.958 0.409 . . . . 0.0 110.632 176.027 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 80.0 t90 -71.18 -38.66 72.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.471 176.452 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 581' ' ' LEU . . . . . 0.955 HD12 ' HA ' ' A' ' 578' ' ' ILE . 44.7 mt -59.31 -44.36 92.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.635 176.475 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -65.15 -31.01 71.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.351 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -85.81 -32.33 21.82 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.708 -176.393 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -118.34 53.11 0.98 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.699 -176.278 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 585' ' ' THR . . . . . 0.64 HG22 ' HE3' ' A' ' 539' ' ' LYS . 18.7 p -68.85 -17.35 63.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.339 0.59 . . . . 0.0 110.656 177.277 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 586' ' ' LEU . . . . . 0.468 HD22 ' N ' ' A' ' 586' ' ' LEU . 2.2 mm? -96.18 5.58 50.73 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.144 -0.934 . . . . 0.0 110.75 -175.804 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -68.41 158.65 33.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.244 176.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -89.22 168.8 11.98 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 176.029 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 589' ' ' LYS . . . . . 0.454 ' O ' ' HG3' ' A' ' 593' ' ' GLU . 20.1 pttm -56.11 -44.76 79.39 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -170.709 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 590' ' ' ASP . . . . . 0.474 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 2.5 p-10 -60.01 -29.22 68.33 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -177.294 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -61.32 -44.23 97.55 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.353 0.596 . . . . 0.0 109.672 174.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 592' ' ' PHE . . . . . 0.49 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 90.8 m-85 -70.04 -44.62 68.85 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.743 177.241 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 593' ' ' GLU . . . . . 0.586 ' O ' ' HG2' ' A' ' 597' ' ' LYS . 45.2 mt-10 -58.29 -36.23 73.02 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.806 -177.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 594' ' ' HIS . . . . . 0.434 ' O ' ' HB2' ' A' ' 597' ' ' LYS . 2.1 t-80 -71.39 -39.45 71.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.219 0.533 . . . . 0.0 109.956 177.051 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 595' ' ' LYS . . . . . 0.45 ' HA ' ' HD3' ' A' ' 595' ' ' LYS . 11.7 tppt? -65.75 -35.72 81.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.248 177.687 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 596' ' ' ARG . . . . . 0.56 ' HB2' HD21 ' A' ' 542' ' ' LEU . 7.6 ttp180 -57.98 -44.54 87.2 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 175.536 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 597' ' ' LYS . . . . . 0.586 ' HG2' ' O ' ' A' ' 593' ' ' GLU . 66.9 mmtt -54.43 -46.3 73.21 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.418 177.681 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 598' ' ' GLU . . . . . 0.479 ' HB3' ' NZ ' ' A' ' 573' ' ' LYS . 49.1 mt-10 -60.68 -53.99 50.67 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.5 0.667 . . . . 0.0 110.959 176.582 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.643 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.0 tm? -60.54 -39.73 88.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.925 -177.161 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 600' ' ' GLU . . . . . 0.534 ' HG3' ' O ' ' A' ' 596' ' ' ARG . 51.7 mt-10 -55.94 -46.14 78.59 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.636 175.804 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 601' ' ' GLN . . . . . 0.539 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 45.8 mt-30 -68.65 -27.75 66.27 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -176.433 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 602' ' ' VAL . . . . . 0.643 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.6 p -75.84 -40.44 39.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 120.219 -0.592 . . . . 0.0 110.482 177.25 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 603' ' ' CYS . . . . . 0.641 ' HB2' HD13 ' A' ' 607' ' ' ILE . 19.8 p -83.03 -26.86 30.78 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.485 -177.597 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 604' ' ' ASN . . . . . 0.62 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 27.8 t30 -49.18 -54.01 33.43 Favored Pre-proline 0 N--CA 1.472 0.663 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 -176.73 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 605' ' ' PRO . . . . . 0.62 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 52.2 Cg_exo -58.94 -32.68 97.91 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 122.009 1.806 . . . . 0.0 111.976 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 606' ' ' ILE . . . . . 0.764 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -81.23 -40.61 18.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 114.966 -1.015 . . . . 0.0 110.22 -177.244 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 607' ' ' ILE . . . . . 0.641 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -66.76 -30.85 51.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.076 178.01 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 30.3 t -62.97 -29.11 70.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.096 174.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -98.33 5.8 61.03 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.358 178.626 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 610' ' ' LEU . . . . . 0.585 HD22 HD22 ' A' ' 558' ' ' LEU . 60.7 mt . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.749 -0.643 . . . . 0.0 109.975 178.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 538' ' ' ALA . . . . . 0.426 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . . . . . . 0 N--CA 1.454 -0.226 0 CA-C-O 120.444 0.164 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 539' ' ' LYS . . . . . 0.556 ' NZ ' ' HB3' ' A' ' 581' ' ' LEU . 2.1 tmtm? -60.89 -49.78 76.06 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 176.31 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -62.07 -44.83 95.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.617 -178.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -62.87 -42.78 99.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.75 179.008 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.798 HD21 ' HB2' ' A' ' 596' ' ' ARG . 0.4 OUTLIER -65.32 -47.62 75.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.764 -177.908 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 543' ' ' GLU . . . . . 0.675 ' HG3' HD13 ' A' ' 581' ' ' LEU . 9.2 tt0 -66.9 -40.57 87.75 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.154 -176.404 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 39.6 m -66.29 -39.13 89.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.459 176.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 545' ' ' TYR . . . . . 0.571 ' CD1' HD12 ' A' ' 599' ' ' LEU . 2.6 t80 -62.45 -48.7 78.5 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 179.484 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.42 -44.3 87.81 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.233 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -56.78 -44.01 81.43 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.465 176.232 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -58.85 -48.88 79.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.793 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 549' ' ' MET . . . . . 0.464 ' HG2' ' O ' ' A' ' 545' ' ' TYR . 22.5 mmt -66.53 -42.39 87.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.291 0.567 . . . . 0.0 110.469 -179.129 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 550' ' ' LYS . . . . . 0.65 ' HG3' HD23 ' A' ' 571' ' ' LEU . 7.1 ttmm -61.53 -46.03 91.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.964 177.698 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 58.1 m -63.17 -36.16 82.72 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.584 176.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -65.81 -46.16 79.65 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.963 0.356 . . . . 0.0 111.963 -176.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 553' ' ' VAL . . . . . 0.791 HG11 HG11 ' A' ' 570' ' ' VAL . 34.6 m -76.83 -35.27 24.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.414 0.626 . . . . 0.0 111.542 -178.252 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 554' ' ' GLU . . . . . 0.697 ' HA ' ' HE3' ' A' ' 567' ' ' LYS . 0.6 OUTLIER -85.9 4.16 38.64 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.868 -179.415 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 555' ' ' ASP . . . . . 0.475 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 32.0 t70 -67.63 138.41 56.37 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.194 0.521 . . . . 0.0 110.777 178.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 556' ' ' GLU . . . . . 0.619 ' O ' ' HG2' ' A' ' 559' ' ' LYS . 40.0 mm-40 -70.0 -18.45 63.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.584 -0.734 . . . . 0.0 112.096 -176.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -91.26 -32.92 8.42 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.354 -0.927 . . . . 0.0 111.127 178.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 1.01 ' HA ' ' HD2' ' A' ' 561' ' ' LYS . 5.6 mt -86.69 2.28 49.11 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.439 -0.38 . . . . 0.0 111.846 179.492 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 559' ' ' LYS . . . . . 0.619 ' HG2' ' O ' ' A' ' 556' ' ' GLU . 6.6 ptpp? -64.23 130.08 42.46 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 174.55 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 91.04 -24.46 18.33 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.528 -0.844 . . . . 0.0 111.976 -175.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 561' ' ' LYS . . . . . 1.01 ' HD2' ' HA ' ' A' ' 558' ' ' LEU . 87.7 mttt -73.68 -39.32 64.49 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.333 0.587 . . . . 0.0 110.588 178.356 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 562' ' ' ILE . . . . . 0.72 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.4 tt -107.37 151.57 9.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.477 175.395 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 22.1 m -77.16 152.59 34.78 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -56.61 -43.73 80.44 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.142 0.276 . . . . 0.0 110.693 -176.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -58.27 -43.2 87.83 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.59 -177.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 566' ' ' ASP . . . . . 0.538 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 37.3 m-20 -67.57 -48.63 66.37 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.697 ' HE3' ' HA ' ' A' ' 554' ' ' GLU . 85.5 tttt -54.55 -48.0 72.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.668 176.619 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 568' ' ' LYS . . . . . 0.401 ' NZ ' ' HB3' ' A' ' 568' ' ' LYS . 10.1 mtpm? -61.93 -47.1 86.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.644 -178.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 569' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 18.0 ptmt -64.35 -44.68 90.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.426 -174.32 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 570' ' ' VAL . . . . . 0.791 HG11 HG11 ' A' ' 553' ' ' VAL . 13.8 p -70.82 -38.34 72.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.534 -179.54 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 571' ' ' LEU . . . . . 0.65 HD23 ' HG3' ' A' ' 550' ' ' LYS . 45.6 mt -61.25 -48.73 80.09 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.981 0.419 . . . . 0.0 110.003 176.218 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -60.87 -47.19 87.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.832 -179.358 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 573' ' ' LYS . . . . . 0.606 ' O ' HG12 ' A' ' 577' ' ' VAL . 49.9 tptt -65.85 -37.48 86.29 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.923 178.432 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 574' ' ' CYS . . . . . 0.598 ' SG ' HD12 ' A' ' 578' ' ' ILE . 4.7 t -59.48 -47.04 87.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.538 0.685 . . . . 0.0 109.944 175.114 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -59.7 -37.51 79.05 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.334 176.164 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -58.93 -55.47 34.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.706 0.289 . . . . 0.0 111.057 176.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 577' ' ' VAL . . . . . 0.75 HG21 HD12 ' A' ' 542' ' ' LEU . 1.0 OUTLIER -64.83 -42.45 94.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.09 -178.869 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 578' ' ' ILE . . . . . 0.927 ' HA ' HD12 ' A' ' 581' ' ' LEU . 30.2 mt -62.27 -41.47 91.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.865 0.364 . . . . 0.0 111.325 178.749 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 33.6 t -65.28 -38.44 90.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.278 0.561 . . . . 0.0 110.148 176.319 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 44.7 t90 -70.01 -35.3 74.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.847 179.338 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 581' ' ' LEU . . . . . 0.927 HD12 ' HA ' ' A' ' 578' ' ' ILE . 19.8 mt -59.05 -45.07 91.7 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.421 177.485 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -68.77 -33.09 73.3 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.187 178.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -80.78 -31.7 35.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.938 -176.14 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 584' ' ' ASN . . . . . 0.579 ' HB3' ' HB2' ' A' ' 587' ' ' ALA . 12.5 m120 -128.55 58.18 1.57 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.053 0.454 . . . . 0.0 110.786 -177.633 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.26 -19.54 64.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.383 0.611 . . . . 0.0 110.192 176.036 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 586' ' ' LEU . . . . . 0.475 HD22 ' N ' ' A' ' 586' ' ' LEU . 2.9 mm? -95.16 5.15 52.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.716 -177.618 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 587' ' ' ALA . . . . . 0.579 ' HB2' ' HB3' ' A' ' 584' ' ' ASN . . . -58.34 151.94 18.65 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -67.73 161.49 25.88 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.11 175.143 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -56.38 -44.36 80.12 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.194 0.521 . . . . 0.0 110.811 -176.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 590' ' ' ASP . . . . . 0.431 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 3.9 m-20 -61.54 -31.62 71.65 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.661 -177.456 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -61.38 -45.62 93.59 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 592' ' ' PHE . . . . . 0.54 ' O ' HD21 ' A' ' 542' ' ' LEU . 90.9 m-85 -65.89 -42.48 90.24 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.67 175.754 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 593' ' ' GLU . . . . . 0.491 ' O ' ' HG2' ' A' ' 597' ' ' LYS . 60.8 mm-40 -58.35 -42.73 87.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.215 -177.235 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -67.13 -38.69 85.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.002 0.429 . . . . 0.0 110.003 177.156 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 595' ' ' LYS . . . . . 0.549 ' HA ' ' HE3' ' A' ' 595' ' ' LYS . 0.4 OUTLIER -64.5 -36.16 83.31 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.725 179.521 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 596' ' ' ARG . . . . . 0.798 ' HB2' HD21 ' A' ' 542' ' ' LEU . 11.3 ttp180 -61.73 -41.95 98.32 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.058 -0.973 . . . . 0.0 109.815 177.254 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 597' ' ' LYS . . . . . 0.536 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 27.1 mmmt -67.1 -43.68 81.89 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.423 179.232 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -61.37 -51.18 69.86 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.574 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.715 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.4 tm? -60.19 -40.32 89.59 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 179.223 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 600' ' ' GLU . . . . . 0.482 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 30.1 tt0 -55.9 -48.69 75.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.881 175.396 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 601' ' ' GLN . . . . . 0.536 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 47.7 mt-30 -69.16 -22.44 63.93 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -178.245 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 602' ' ' VAL . . . . . 0.715 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.5 p -77.43 -40.51 28.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.099 176.259 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 603' ' ' CYS . . . . . 0.644 ' HB2' HD13 ' A' ' 607' ' ' ILE . 21.6 p -82.69 -27.12 31.45 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.472 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 604' ' ' ASN . . . . . 0.519 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 10.9 t30 -50.17 -50.43 69.94 Favored Pre-proline 0 CA--C 1.543 0.69 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -177.687 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 605' ' ' PRO . . . . . 0.519 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 50.1 Cg_exo -58.16 -25.62 72.33 Favored 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 122.27 1.98 . . . . 0.0 112.586 177.054 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 606' ' ' ILE . . . . . 0.72 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -91.39 -40.94 12.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.564 -177.758 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 607' ' ' ILE . . . . . 0.644 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -66.89 -30.21 48.87 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 C-N-CA 123.027 0.531 . . . . 0.0 111.008 -178.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 4.3 p -68.85 -11.25 60.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.511 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -115.43 -3.94 20.38 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.3 176.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 610' ' ' LEU . . . . . 0.656 HD21 ' HB ' ' A' ' 562' ' ' ILE . 60.4 mt . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.676 -0.678 . . . . 0.0 111.001 -178.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 538' ' ' ALA . . . . . 0.561 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 119.738 -0.172 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 539' ' ' LYS . . . . . 0.58 ' HZ3' HG23 ' A' ' 585' ' ' THR . 2.3 tmtm? -56.87 -49.24 76.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.952 0.406 . . . . 0.0 109.954 178.116 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -63.97 -47.87 78.71 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.921 -176.447 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 541' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' ' 545' ' ' TYR . . . -64.71 -38.51 91.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.711 179.03 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.686 HD12 HD21 ' A' ' 581' ' ' LEU . 2.0 tm? -66.26 -47.78 72.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.011 -177.675 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 543' ' ' GLU . . . . . 0.756 ' HG3' HD13 ' A' ' 581' ' ' LEU . 15.2 tt0 -68.44 -42.28 79.07 Favored 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -178.493 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 22.5 t -61.84 -35.23 77.65 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.908 177.395 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 545' ' ' TYR . . . . . 0.461 ' OH ' ' HG2' ' A' ' 600' ' ' GLU . 4.0 t80 -64.21 -49.13 73.21 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.027 179.018 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -66.3 -40.4 89.99 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.173 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -59.11 -42.27 90.14 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.726 174.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -64.05 -48.36 76.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.035 -177.294 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 549' ' ' MET . . . . . 0.41 ' HG3' ' CD1' ' A' ' 599' ' ' LEU . 17.6 mmt -64.39 -43.26 95.0 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.528 0.68 . . . . 0.0 110.018 179.122 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 550' ' ' LYS . . . . . 0.643 ' HG3' HD23 ' A' ' 571' ' ' LEU . 2.7 ttmm -59.0 -44.04 91.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.176 176.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 8.3 t -65.97 -36.54 83.6 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.841 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -64.18 -46.31 84.54 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -176.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 553' ' ' VAL . . . . . 0.771 HG11 HG11 ' A' ' 570' ' ' VAL . 33.8 m -76.71 -31.91 20.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.677 0.751 . . . . 0.0 111.195 -178.408 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 554' ' ' GLU . . . . . 0.571 ' HB2' ' O ' ' A' ' 550' ' ' LYS . 0.7 OUTLIER -87.01 5.62 36.45 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.067 -0.969 . . . . 0.0 111.729 178.489 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 555' ' ' ASP . . . . . 0.442 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 27.8 t70 -72.8 137.04 45.54 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.979 176.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -70.02 -14.5 62.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.359 -176.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -99.72 -18.0 24.28 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.177 -1.011 . . . . 0.0 111.608 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.676 HD22 HD22 ' A' ' 610' ' ' LEU . 13.5 mt -100.61 -5.61 26.47 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.673 -0.264 . . . . 0.0 111.644 178.277 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -67.56 125.04 24.9 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 171.532 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 100.25 -23.78 34.58 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.227 -172.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 561' ' ' LYS . . . . . 0.564 ' HG3' ' HA ' ' A' ' 558' ' ' LEU . 33.8 mmtm -77.84 -43.69 29.58 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.535 0.683 . . . . 0.0 109.301 173.675 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 562' ' ' ILE . . . . . 0.746 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.3 tt -105.59 149.49 8.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 CA-C-N 114.845 -1.071 . . . . 0.0 109.728 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 22.1 m -78.6 150.66 32.67 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -54.61 -41.5 70.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.55 0.214 . . . . 0.0 111.358 -173.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -58.21 -42.91 87.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.589 -177.094 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 566' ' ' ASP . . . . . 0.498 ' HB3' ' HB ' ' A' ' 606' ' ' ILE . 20.9 m-20 -69.31 -46.57 66.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.083 0.468 . . . . 0.0 109.938 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.519 ' NZ ' ' HA ' ' A' ' 554' ' ' GLU . 29.3 tttp -54.26 -47.86 71.83 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.609 175.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -66.56 -47.68 72.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.752 -178.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 569' ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 0.0 OUTLIER -60.97 -44.3 97.53 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 110.297 -0.261 . . . . 0.0 110.297 -175.383 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 570' ' ' VAL . . . . . 0.771 HG11 HG11 ' A' ' 553' ' ' VAL . 12.1 p -70.42 -43.2 78.36 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.232 -179.036 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 571' ' ' LEU . . . . . 0.643 HD23 ' HG3' ' A' ' 550' ' ' LYS . 41.6 mt -59.76 -45.56 91.85 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.787 0.327 . . . . 0.0 110.486 177.63 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 572' ' ' ASP . . . . . 0.467 ' O ' ' HG3' ' A' ' 576' ' ' GLU . 21.4 t70 -61.94 -47.99 82.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.254 -179.429 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 573' ' ' LYS . . . . . 0.611 ' O ' HG12 ' A' ' 577' ' ' VAL . 44.7 tptt -64.4 -41.88 96.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.063 178.393 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 574' ' ' CYS . . . . . 0.445 ' SG ' HD21 ' A' ' 599' ' ' LEU . 91.4 m -61.15 -38.64 87.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.043 0.449 . . . . 0.0 110.004 177.526 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -65.02 -39.36 93.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.141 176.476 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 576' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 572' ' ' ASP . 49.9 mt-10 -58.65 -56.16 25.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.088 0.47 . . . . 0.0 110.279 177.534 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 577' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 573' ' ' LYS . 2.1 p -66.34 -39.7 84.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.731 -177.124 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 578' ' ' ILE . . . . . 0.913 ' HA ' HD12 ' A' ' 581' ' ' LEU . 13.2 mt -61.63 -41.89 92.07 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 CA-C-O 120.865 0.365 . . . . 0.0 110.898 177.322 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 26.6 t -65.45 -35.58 81.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.189 0.518 . . . . 0.0 109.934 175.243 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 580' ' ' TRP . . . . . 0.65 ' CZ2' ' HG3' ' A' ' 591' ' ' GLU . 46.5 t90 -68.67 -37.22 79.46 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.851 178.68 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 581' ' ' LEU . . . . . 0.913 HD12 ' HA ' ' A' ' 578' ' ' ILE . 14.7 mt -57.96 -46.59 84.88 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.79 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -68.84 -21.97 64.25 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.646 178.056 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -90.66 -31.77 16.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.081 -175.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -125.5 47.18 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.431 -177.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 585' ' ' THR . . . . . 0.58 HG23 ' HZ3' ' A' ' 539' ' ' LYS . 0.2 OUTLIER -61.74 -23.04 65.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.27 177.266 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 586' ' ' LEU . . . . . 0.406 ' H ' HD22 ' A' ' 586' ' ' LEU . 1.0 OUTLIER -90.18 5.52 46.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.77 -175.746 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 587' ' ' ALA . . . . . 0.501 ' HB1' ' HB3' ' A' ' 591' ' ' GLU . . . -60.54 157.54 14.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.062 179.004 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -77.07 171.02 15.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.103 175.297 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 589' ' ' LYS . . . . . 0.923 ' HD3' ' H ' ' A' ' 589' ' ' LYS . 0.0 OUTLIER -56.47 -46.43 80.41 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.363 -176.475 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 590' ' ' ASP . . . . . 0.459 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 5.4 p-10 -66.33 -23.6 66.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.939 -175.62 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 591' ' ' GLU . . . . . 0.65 ' HG3' ' CZ2' ' A' ' 580' ' ' TRP . 7.9 tp10 -65.2 -46.21 81.62 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 178.254 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 592' ' ' PHE . . . . . 0.561 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 94.0 m-85 -68.72 -40.38 79.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.138 177.005 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 593' ' ' GLU . . . . . 0.459 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 5.8 mm-40 -59.87 -44.97 93.87 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.877 -179.29 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -67.65 -39.88 84.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.505 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 595' ' ' LYS . . . . . 0.45 ' HE2' ' HB2' ' A' ' 595' ' ' LYS . 8.4 tppt? -62.87 -35.04 78.69 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.149 0.5 . . . . 0.0 109.96 178.023 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 596' ' ' ARG . . . . . 0.482 ' O ' ' HG3' ' A' ' 600' ' ' GLU . 4.2 ttp85 -60.6 -42.89 97.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.948 178.053 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 597' ' ' LYS . . . . . 0.546 ' O ' ' HG2' ' A' ' 601' ' ' GLN . 26.7 mmmt -62.52 -41.88 99.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.382 176.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -59.46 -51.37 70.16 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.714 0.769 . . . . 0.0 110.541 177.427 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.662 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.1 tm? -59.68 -41.56 90.98 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.633 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 600' ' ' GLU . . . . . 0.548 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 38.6 mt-10 -56.17 -46.75 79.22 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.027 176.008 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 601' ' ' GLN . . . . . 0.546 ' HG2' ' O ' ' A' ' 597' ' ' LYS . 24.6 mm-40 -61.48 -30.36 70.55 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -178.711 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 602' ' ' VAL . . . . . 0.662 HG12 ' O ' ' A' ' 599' ' ' LEU . 0.8 OUTLIER -76.39 -41.62 35.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 120.203 -0.599 . . . . 0.0 111.273 178.176 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 603' ' ' CYS . . . . . 0.64 ' HB2' HD13 ' A' ' 607' ' ' ILE . 24.5 p -82.84 -26.54 31.56 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 111.538 0.199 . . . . 0.0 111.538 -177.138 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 604' ' ' ASN . . . . . 0.605 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 21.0 t30 -49.48 -53.29 42.02 Favored Pre-proline 0 N--CA 1.472 0.659 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -177.037 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 605' ' ' PRO . . . . . 0.605 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 52.9 Cg_exo -59.87 -22.96 70.66 Favored 'Trans proline' 0 C--N 1.357 0.985 0 C-N-CA 122.257 1.972 . . . . 0.0 112.285 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 606' ' ' ILE . . . . . 0.746 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -91.76 -40.87 12.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.316 -178.218 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 607' ' ' ILE . . . . . 0.64 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -67.07 -32.25 57.02 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.932 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 3.7 p -70.42 -18.46 63.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.968 0.413 . . . . 0.0 110.743 177.054 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -97.48 -4.06 58.35 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 111.605 -0.598 . . . . 0.0 111.605 175.412 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 610' ' ' LEU . . . . . 0.676 HD22 HD22 ' A' ' 558' ' ' LEU . 68.3 mt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.372 -0.823 . . . . 0.0 110.031 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 538' ' ' ALA . . . . . 0.511 ' O ' ' HB2' ' A' ' 542' ' ' LEU . . . . . . . . 0 CA--C 1.521 -0.17 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 539' ' ' LYS . . . . . 0.418 ' HE3' HG22 ' A' ' 585' ' ' THR . 13.0 tmtt? -64.46 -47.19 79.94 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 174.684 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -58.54 -47.94 82.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.724 177.32 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -61.65 -46.17 90.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 178.513 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.704 HD21 ' HB2' ' A' ' 596' ' ' ARG . 0.2 OUTLIER -61.7 -48.15 82.06 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.642 -176.841 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 543' ' ' GLU . . . . . 0.559 ' CB ' HD13 ' A' ' 581' ' ' LEU . 11.3 tt0 -68.69 -39.98 80.27 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.351 -176.545 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 23.6 m -64.76 -40.56 95.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.156 176.396 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 545' ' ' TYR . . . . . 0.526 ' O ' ' HG2' ' A' ' 549' ' ' MET . 2.4 t80 -61.59 -48.99 78.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.822 178.609 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.2 -43.25 92.18 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.423 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -58.62 -42.47 88.29 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.676 175.187 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -59.63 -49.87 76.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.391 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 549' ' ' MET . . . . . 0.526 ' HG2' ' O ' ' A' ' 545' ' ' TYR . 19.3 mmt -65.68 -44.02 87.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.228 0.537 . . . . 0.0 110.155 -178.457 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 550' ' ' LYS . . . . . 0.708 ' HG3' HD23 ' A' ' 571' ' ' LEU . 4.7 ttmm -60.15 -46.06 90.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.748 177.07 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 13.4 t -65.97 -37.01 84.88 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 178.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -65.59 -46.0 81.04 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -177.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 553' ' ' VAL . . . . . 0.77 HG11 HG11 ' A' ' 570' ' ' VAL . 34.4 m -75.84 -32.01 23.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.714 0.768 . . . . 0.0 111.096 -178.552 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 554' ' ' GLU . . . . . 0.61 ' HB2' ' O ' ' A' ' 550' ' ' LYS . 1.0 OUTLIER -89.2 4.71 47.73 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.954 178.525 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 555' ' ' ASP . . . . . 0.605 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 18.1 t70 -69.39 135.91 50.94 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.263 178.283 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -69.84 -10.09 57.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.256 -176.611 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -101.48 -32.03 5.31 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.68 -0.771 . . . . 0.0 111.364 176.406 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.738 ' HA ' ' HG3' ' A' ' 561' ' ' LYS . 15.7 mt -87.49 -3.5 59.0 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 179.024 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -69.06 130.21 42.11 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 174.098 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 95.88 -28.28 13.19 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.7 -0.762 . . . . 0.0 111.745 -173.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 561' ' ' LYS . . . . . 0.738 ' HG3' ' HA ' ' A' ' 558' ' ' LEU . 60.2 mmtt -69.57 -41.22 76.12 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 175.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 562' ' ' ILE . . . . . 0.656 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.6 tt -106.22 149.26 9.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.961 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 15.0 m -74.17 148.79 41.37 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.18 -40.14 70.35 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.628 -175.108 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -59.01 -43.48 91.56 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -178.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 566' ' ' ASP . . . . . 0.521 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 26.5 m-20 -68.63 -46.89 68.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.95 0.405 . . . . 0.0 109.922 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.462 ' NZ ' ' HA ' ' A' ' 554' ' ' GLU . 26.6 tttp -53.97 -48.02 70.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.661 175.376 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -65.07 -46.47 81.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.941 -178.475 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 569' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 0.0 OUTLIER -64.42 -44.94 89.62 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 121.145 -0.222 . . . . 0.0 110.458 -175.634 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 570' ' ' VAL . . . . . 0.77 HG11 HG11 ' A' ' 553' ' ' VAL . 12.0 p -70.43 -42.16 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.012 -177.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 571' ' ' LEU . . . . . 0.708 HD23 ' HG3' ' A' ' 550' ' ' LYS . 30.6 mt -57.39 -48.6 78.65 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.087 0.47 . . . . 0.0 110.23 177.104 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -61.55 -45.54 93.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.615 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 573' ' ' LYS . . . . . 0.611 ' CG ' HG11 ' A' ' 602' ' ' VAL . 49.1 tptt -65.48 -41.38 93.37 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.752 179.464 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 574' ' ' CYS . . . . . 0.533 ' SG ' HD21 ' A' ' 599' ' ' LEU . 68.7 m -59.3 -39.23 82.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.449 175.453 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -65.4 -36.69 84.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.934 176.639 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 576' ' ' GLU . . . . . 0.403 ' CD ' ' HZ2' ' A' ' 573' ' ' LYS . 0.7 OUTLIER -59.9 -56.35 22.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.973 0.416 . . . . 0.0 110.374 177.228 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 577' ' ' VAL . . . . . 0.655 HG21 HD12 ' A' ' 542' ' ' LEU . 1.4 p -66.27 -41.01 88.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.474 -178.586 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 578' ' ' ILE . . . . . 0.901 ' HA ' HD12 ' A' ' 581' ' ' LEU . 17.9 mt -60.91 -38.7 79.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.75 0.309 . . . . 0.0 111.02 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 29.1 t -68.46 -36.38 78.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.089 0.471 . . . . 0.0 110.201 174.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 82.9 t90 -69.64 -36.57 76.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.923 179.267 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 581' ' ' LEU . . . . . 0.901 HD12 ' HA ' ' A' ' 578' ' ' ILE . 48.7 mt -61.0 -47.21 87.53 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.914 178.383 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -68.7 -21.32 64.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.491 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -93.0 -31.35 14.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.781 -178.107 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 584' ' ' ASN . . . . . 0.421 ' HB3' ' HB2' ' A' ' 587' ' ' ALA . 13.5 m120 -122.5 58.89 1.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -178.493 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 585' ' ' THR . . . . . 0.418 HG22 ' HE3' ' A' ' 539' ' ' LYS . 40.0 p -72.93 -12.82 61.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.868 0.842 . . . . 0.0 109.298 174.653 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 586' ' ' LEU . . . . . 0.504 HD22 ' N ' ' A' ' 586' ' ' LEU . 1.9 mm? -93.94 0.02 55.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.335 -1.302 . . . . 0.0 110.432 -176.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 587' ' ' ALA . . . . . 0.421 ' HB2' ' HB3' ' A' ' 584' ' ' ASN . . . -66.71 153.34 43.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.733 -179.207 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -77.84 168.13 20.41 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.249 177.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -56.78 -46.15 81.68 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.912 0.387 . . . . 0.0 111.569 -174.488 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 590' ' ' ASP . . . . . 0.46 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 10.6 p-10 -67.39 -25.41 65.94 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.142 -177.219 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 591' ' ' GLU . . . . . 0.403 ' HB2' ' HB1' ' A' ' 587' ' ' ALA . 36.2 mm-40 -61.51 -47.03 87.46 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 174.668 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 592' ' ' PHE . . . . . 0.519 ' O ' HD21 ' A' ' 542' ' ' LEU . 98.5 m-85 -64.91 -44.93 87.94 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.03 176.72 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 593' ' ' GLU . . . . . 0.46 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 10.8 mm-40 -58.42 -38.07 76.67 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.803 0.335 . . . . 0.0 111.347 -176.508 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.68 -36.31 70.56 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 175.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 595' ' ' LYS . . . . . 0.474 ' HD3' ' HA ' ' A' ' 595' ' ' LYS . 14.1 tppt? -64.35 -37.22 86.75 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 121.105 0.479 . . . . 0.0 109.82 174.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 596' ' ' ARG . . . . . 0.704 ' HB2' HD21 ' A' ' 542' ' ' LEU . 39.0 ttp85 -59.46 -38.99 82.18 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.12 177.126 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 597' ' ' LYS . . . . . 0.637 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 59.8 mmtt -67.01 -39.77 87.15 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.726 177.085 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 598' ' ' GLU . . . . . 0.498 ' HB3' ' NZ ' ' A' ' 573' ' ' LYS . 39.3 mt-10 -60.21 -53.3 59.34 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.43 0.634 . . . . 0.0 110.475 175.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.697 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.1 tm? -61.71 -40.47 95.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.131 -0.941 . . . . 0.0 109.148 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 600' ' ' GLU . . . . . 0.465 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 31.8 tt0 -55.4 -46.39 76.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.828 177.108 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 601' ' ' GLN . . . . . 0.637 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 75.3 mt-30 -67.16 -29.99 69.84 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.291 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 602' ' ' VAL . . . . . 0.697 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.4 p -76.07 -40.55 37.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.76 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 603' ' ' CYS . . . . . 0.605 ' HB2' HD13 ' A' ' 607' ' ' ILE . 20.0 p -82.96 -26.37 31.42 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.375 -178.454 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 604' ' ' ASN . . . . . 0.618 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 40.0 t30 -49.51 -52.39 50.39 Favored Pre-proline 0 CA--C 1.541 0.621 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -176.596 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 605' ' ' PRO . . . . . 0.618 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 49.2 Cg_exo -60.63 -25.83 81.65 Favored 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 122.323 2.015 . . . . 0.0 112.307 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 606' ' ' ILE . . . . . 0.656 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -89.58 -41.15 13.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.288 -177.289 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 607' ' ' ILE . . . . . 0.612 ' N ' HG12 ' A' ' 606' ' ' ILE . 1.2 mp -68.56 -33.6 60.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.843 -179.449 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 8.4 p -70.23 -9.87 57.19 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.842 0.354 . . . . 0.0 110.789 177.659 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -112.15 7.56 27.05 Favored Glycine 0 N--CA 1.45 -0.418 0 N-CA-C 111.505 -0.638 . . . . 0.0 111.505 175.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 610' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 606' ' ' ILE . 58.7 mt . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.503 -0.76 . . . . 0.0 110.194 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 538' ' ' ALA . . . . . 0.509 ' O ' ' HB2' ' A' ' 542' ' ' LEU . . . . . . . . 0 C--O 1.225 -0.231 0 CA-C-O 120.398 0.142 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 539' ' ' LYS . . . . . 0.453 ' HE2' ' HB3' ' A' ' 581' ' ' LEU . 13.4 tmtt? -60.86 -41.12 95.26 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 179.333 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -68.05 -47.07 69.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.703 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -62.61 -39.84 95.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.735 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.509 ' HB2' ' O ' ' A' ' 538' ' ' ALA . 0.2 OUTLIER -66.73 -47.32 72.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.011 -177.257 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -62.66 -48.1 80.81 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.26 -45.8 83.68 Favored 'General case' 0 C--O 1.213 -0.827 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.506 177.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 545' ' ' TYR . . . . . 0.455 ' O ' ' HG2' ' A' ' 549' ' ' MET . 3.5 t80 -59.49 -47.27 86.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 110.086 -176.303 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.63 -41.51 92.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.284 178.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -58.94 -43.62 91.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.311 174.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -59.74 -49.36 78.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.312 -178.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 549' ' ' MET . . . . . 0.455 ' HG2' ' O ' ' A' ' 545' ' ' TYR . 19.5 mmt -66.07 -44.59 84.07 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 121.279 0.561 . . . . 0.0 110.212 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 550' ' ' LYS . . . . . 0.604 ' HG3' HD23 ' A' ' 571' ' ' LEU . 3.5 ttmm -57.87 -45.93 85.59 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.268 177.166 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 16.4 t -66.84 -36.14 81.66 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.88 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -62.73 -45.78 91.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.527 -177.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 553' ' ' VAL . . . . . 0.851 HG11 HG11 ' A' ' 570' ' ' VAL . 33.2 m -76.63 -35.68 26.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.431 0.634 . . . . 0.0 111.362 -178.223 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 554' ' ' GLU . . . . . 0.686 ' HG2' HD11 ' A' ' 571' ' ' LEU . 0.2 OUTLIER -85.6 4.43 36.25 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.811 179.47 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 555' ' ' ASP . . . . . 0.469 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 12.8 t70 -69.23 136.78 52.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.559 172.082 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 556' ' ' GLU . . . . . 0.883 ' HA ' ' HD2' ' A' ' 559' ' ' LYS . 63.7 mm-40 -69.79 -10.93 60.26 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -173.233 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -101.61 -37.23 3.54 Favored Glycine 0 N--CA 1.441 -0.995 0 C-N-CA 119.766 -1.207 . . . . 0.0 111.119 176.577 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.935 HD23 ' HD2' ' A' ' 561' ' ' LYS . 15.7 mt -80.48 -14.47 58.24 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.817 0.341 . . . . 0.0 111.232 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 559' ' ' LYS . . . . . 0.883 ' HD2' ' HA ' ' A' ' 556' ' ' GLU . 15.4 ptmt -64.61 -22.6 67.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 178.635 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . -98.19 3.83 60.24 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.631 175.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 561' ' ' LYS . . . . . 0.935 ' HD2' HD23 ' A' ' 558' ' ' LEU . 78.3 mttt -104.94 -29.09 10.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.333 0.587 . . . . 0.0 110.461 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 562' ' ' ILE . . . . . 0.852 ' HB ' HD21 ' A' ' 610' ' ' LEU . 5.5 tt -106.22 153.49 7.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.175 179.005 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 563' ' ' SER . . . . . 0.427 ' HB3' ' OD2' ' A' ' 566' ' ' ASP . 42.0 t -76.68 146.69 37.93 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 175.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -56.03 -38.91 71.18 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.978 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -58.99 -43.03 91.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.024 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 566' ' ' ASP . . . . . 0.573 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 20.7 m-20 -70.47 -46.94 62.81 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 179.107 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.639 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 83.8 tttt -54.66 -48.8 71.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.005 177.65 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -62.6 -47.17 84.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.294 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 569' ' ' LYS . . . . . 0.573 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 19.1 pttt -66.29 -43.44 86.36 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.607 -173.656 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 570' ' ' VAL . . . . . 0.851 HG11 HG11 ' A' ' 553' ' ' VAL . 12.6 p -70.07 -40.48 78.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.883 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 571' ' ' LEU . . . . . 0.686 HD11 ' HG2' ' A' ' 554' ' ' GLU . 31.7 mt -60.14 -46.11 90.76 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.652 0.263 . . . . 0.0 110.688 177.697 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -64.64 -45.44 86.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.203 0.525 . . . . 0.0 109.777 -179.044 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 573' ' ' LYS . . . . . 0.601 ' O ' HG12 ' A' ' 577' ' ' VAL . 51.2 tptt -62.09 -41.01 97.75 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.854 177.653 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 574' ' ' CYS . . . . . 0.447 ' SG ' HD21 ' A' ' 599' ' ' LEU . 98.1 m -63.52 -39.56 94.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.704 177.657 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -63.47 -39.09 93.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.532 174.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 576' ' ' GLU . . . . . 0.425 ' HB3' ' O ' ' A' ' 573' ' ' LYS . 3.4 tt0 -58.87 -55.62 32.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.789 178.557 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 577' ' ' VAL . . . . . 0.601 HG12 ' O ' ' A' ' 573' ' ' LYS . 1.5 p -66.11 -41.48 89.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.45 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 578' ' ' ILE . . . . . 0.93 ' HA ' HD12 ' A' ' 581' ' ' LEU . 15.8 mt -61.07 -39.46 82.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.534 0.207 . . . . 0.0 111.415 -179.052 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 16.9 t -70.16 -34.82 73.49 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 175.472 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 82.7 t90 -67.09 -35.53 80.0 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.694 179.14 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 581' ' ' LEU . . . . . 0.93 HD12 ' HA ' ' A' ' 578' ' ' ILE . 31.6 mt -63.74 -48.1 78.39 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.333 178.681 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -68.86 -27.11 65.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.572 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -86.6 -32.21 20.75 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.858 -176.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -113.86 58.97 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.132 0.492 . . . . 0.0 111.009 -177.045 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 69.4 p -73.73 -12.44 60.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.943 0.878 . . . . 0.0 109.181 174.582 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 586' ' ' LEU . . . . . 0.502 HD22 ' N ' ' A' ' 586' ' ' LEU . 2.0 mm? -90.16 5.07 48.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.432 -1.258 . . . . 0.0 110.238 -179.278 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 587' ' ' ALA . . . . . 0.468 ' HB1' ' HB2' ' A' ' 591' ' ' GLU . . . -74.51 161.54 29.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.766 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -90.07 167.83 12.45 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 175.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -60.28 -39.19 86.02 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.682 0.753 . . . . 0.0 109.801 -175.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 590' ' ' ASP . . . . . 0.413 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 4.8 m-20 -61.78 -30.65 70.94 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.503 -1.226 . . . . 0.0 111.896 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 591' ' ' GLU . . . . . 0.468 ' HB2' ' HB1' ' A' ' 587' ' ' ALA . 12.1 mm-40 -63.83 -42.97 97.52 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.438 0.637 . . . . 0.0 109.314 178.276 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -66.15 -41.12 90.85 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.549 175.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 593' ' ' GLU . . . . . 0.444 ' HA ' ' OE1' ' A' ' 593' ' ' GLU . 5.0 mm-40 -59.51 -38.84 81.98 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.647 -179.14 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 594' ' ' HIS . . . . . 0.467 ' O ' ' HG3' ' A' ' 598' ' ' GLU . 29.1 m170 -68.53 -42.7 78.11 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 176.655 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 595' ' ' LYS . . . . . 0.435 ' HG2' HG23 ' A' ' 577' ' ' VAL . 11.4 tppt? -64.13 -35.53 81.08 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.212 179.288 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 596' ' ' ARG . . . . . 0.459 ' HB2' HD21 ' A' ' 542' ' ' LEU . 12.7 ttp85 -60.14 -37.23 79.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.407 176.665 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 597' ' ' LYS . . . . . 0.563 ' O ' ' HG2' ' A' ' 601' ' ' GLN . 43.8 mmtm -66.53 -46.36 76.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.385 173.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 598' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 594' ' ' HIS . 53.1 mt-10 -59.41 -55.82 29.79 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.555 0.693 . . . . 0.0 111.332 -177.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.705 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.6 tm? -59.07 -40.77 86.21 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.515 -179.606 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 600' ' ' GLU . . . . . 0.629 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 36.5 tt0 -59.79 -41.76 91.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.777 177.627 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 601' ' ' GLN . . . . . 0.563 ' HG2' ' O ' ' A' ' 597' ' ' LYS . 26.4 mm-40 -62.98 -30.94 71.98 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 179.144 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 602' ' ' VAL . . . . . 0.705 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.4 p -75.42 -40.4 42.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.928 178.163 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 603' ' ' CYS . . . . . 0.629 ' SG ' ' HA ' ' A' ' 600' ' ' GLU . 24.1 p -82.96 -27.08 30.75 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -177.522 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 604' ' ' ASN . . . . . 0.612 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 20.9 t30 -49.58 -54.02 35.16 Favored Pre-proline 0 N--CA 1.471 0.622 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -176.249 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 605' ' ' PRO . . . . . 0.612 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 47.3 Cg_exo -60.7 -24.22 78.13 Favored 'Trans proline' 0 C--N 1.356 0.93 0 C-N-CA 122.056 1.837 . . . . 0.0 112.324 179.592 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 606' ' ' ILE . . . . . 0.717 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -87.67 -40.83 14.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.888 -179.509 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 607' ' ' ILE . . . . . 0.625 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.4 mp -66.02 -27.72 41.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.673 177.251 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 33.4 t -65.03 -13.06 56.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.681 176.017 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -120.84 5.88 11.34 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.082 176.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 610' ' ' LEU . . . . . 0.852 HD21 ' HB ' ' A' ' 562' ' ' ILE . 68.4 mt . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.551 -179.318 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 538' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.107 0 CA-C-O 120.518 0.199 . . . . 0.0 111.378 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 539' ' ' LYS . . . . . 0.621 ' HG2' HD22 ' A' ' 581' ' ' LEU . 10.0 tmtt? -66.99 -39.79 87.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.757 0.313 . . . . 0.0 110.741 -177.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -64.42 -45.78 86.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.192 178.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 541' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' ' 545' ' ' TYR . . . -59.97 -45.25 93.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.626 176.418 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.687 HD21 ' HB2' ' A' ' 596' ' ' ARG . 0.2 OUTLIER -66.87 -48.45 68.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.847 -175.237 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 543' ' ' GLU . . . . . 0.586 ' CB ' HD13 ' A' ' 581' ' ' LEU . 17.5 tt0 -68.67 -41.04 79.81 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 -176.175 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 36.0 m -65.83 -35.49 80.81 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.241 176.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 545' ' ' TYR . . . . . 0.463 ' OH ' ' HG2' ' A' ' 600' ' ' GLU . 3.2 t80 -62.62 -49.44 75.18 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 177.781 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -66.18 -42.0 89.48 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.568 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -57.54 -41.85 81.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.428 174.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 51.3 m-20 -60.45 -50.16 74.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.914 -179.244 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 549' ' ' MET . . . . . 0.425 ' HG2' ' O ' ' A' ' 545' ' ' TYR . 18.2 mmt -66.94 -43.18 83.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.339 0.59 . . . . 0.0 110.016 -178.437 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 550' ' ' LYS . . . . . 0.564 ' HG3' HD23 ' A' ' 571' ' ' LEU . 3.4 ttmm -58.84 -48.55 80.93 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.285 176.41 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 5.3 t -65.85 -35.51 80.88 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.514 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -64.24 -45.94 85.97 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.987 0.365 . . . . 0.0 111.987 -178.255 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 553' ' ' VAL . . . . . 0.745 HG11 HG11 ' A' ' 570' ' ' VAL . 33.8 m -76.71 -32.83 21.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.391 0.615 . . . . 0.0 111.286 -179.261 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 554' ' ' GLU . . . . . 0.576 ' HG2' HD11 ' A' ' 571' ' ' LEU . 1.2 mm-40 -89.36 4.48 48.81 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.766 178.452 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 555' ' ' ASP . . . . . 0.626 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 18.1 t70 -65.12 137.58 57.75 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.557 177.137 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -71.62 -13.06 61.65 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.29 -177.127 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -101.98 -23.36 9.26 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 119.94 -1.124 . . . . 0.0 111.602 178.436 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.626 ' HB2' ' HB3' ' A' ' 555' ' ' ASP . 13.8 mt -93.06 -2.73 55.29 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.781 0.324 . . . . 0.0 111.279 177.614 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -68.67 120.8 15.23 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 174.433 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 109.25 -33.65 6.0 Favored Glycine 0 N--CA 1.448 -0.52 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 -172.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 561' ' ' LYS . . . . . 0.494 ' HG3' HD23 ' A' ' 558' ' ' LEU . 27.4 mmtt -65.87 -45.9 80.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.323 0.582 . . . . 0.0 110.851 176.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 562' ' ' ILE . . . . . 0.699 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.3 tt -105.66 147.37 11.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.355 -0.838 . . . . 0.0 110.157 -176.618 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 563' ' ' SER . . . . . 0.417 ' HB3' ' OD2' ' A' ' 566' ' ' ASP . 33.0 t -72.61 147.95 45.33 Favored 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 176.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -61.35 -31.37 71.25 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.58 -175.406 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -61.94 -43.62 98.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 123.211 0.319 . . . . 0.0 111.018 177.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 566' ' ' ASP . . . . . 0.44 ' HB3' ' HB ' ' A' ' 606' ' ' ILE . 13.4 m-20 -68.01 -46.52 71.0 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.53 0.681 . . . . 0.0 109.28 178.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 26.2 tttp -54.24 -48.72 70.8 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.624 -1.171 . . . . 0.0 111.161 175.381 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -63.3 -47.77 80.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.523 -178.415 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 569' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 17.8 ptmt -63.79 -44.57 92.95 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.208 -174.418 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 570' ' ' VAL . . . . . 0.745 HG11 HG11 ' A' ' 553' ' ' VAL . 11.1 p -70.5 -41.36 78.1 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.284 -179.094 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 571' ' ' LEU . . . . . 0.576 HD11 ' HG2' ' A' ' 554' ' ' GLU . 36.1 mt -60.29 -46.18 90.77 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.971 0.415 . . . . 0.0 110.353 177.689 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -60.29 -47.52 85.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.711 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 573' ' ' LYS . . . . . 0.6 ' CG ' HG11 ' A' ' 602' ' ' VAL . 50.1 tptt -66.21 -39.54 89.69 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.063 179.049 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 574' ' ' CYS . . . . . 0.441 ' SG ' HD21 ' A' ' 599' ' ' LEU . 97.9 m -62.23 -37.85 86.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.164 0.507 . . . . 0.0 110.09 176.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -65.79 -36.58 83.93 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.275 175.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -59.0 -56.07 27.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.586 176.532 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 577' ' ' VAL . . . . . 0.614 HG21 HD12 ' A' ' 542' ' ' LEU . 1.0 OUTLIER -65.05 -43.45 95.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.309 -179.284 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 578' ' ' ILE . . . . . 0.917 ' HA ' HD12 ' A' ' 581' ' ' LEU . 20.9 mt -61.35 -38.23 79.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -179.071 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 31.3 t -70.77 -33.51 70.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.171 0.51 . . . . 0.0 109.886 176.129 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 79.2 t90 -69.7 -38.55 76.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.654 178.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 581' ' ' LEU . . . . . 0.917 HD12 ' HA ' ' A' ' 578' ' ' ILE . 34.6 mt -60.93 -42.65 98.58 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.895 177.356 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -66.98 -30.85 71.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.155 -0.929 . . . . 0.0 110.327 178.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -84.38 -31.84 24.51 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.48 -177.487 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 584' ' ' ASN . . . . . 0.777 ' HB3' ' HB2' ' A' ' 587' ' ' ALA . 86.6 m-20 -124.1 55.18 1.3 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.473 -178.377 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -66.58 -19.15 65.71 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.833 178.254 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 586' ' ' LEU . . . . . 0.454 HD22 ' N ' ' A' ' 586' ' ' LEU . 1.5 mm? -104.53 7.22 35.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.192 -175.824 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 587' ' ' ALA . . . . . 0.777 ' HB2' ' HB3' ' A' ' 584' ' ' ASN . . . -57.02 158.38 5.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.666 -179.109 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -80.03 163.32 24.29 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.615 177.24 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -56.7 -45.84 81.58 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -170.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 590' ' ' ASP . . . . . 0.601 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 3.6 p30 -63.17 -27.03 69.09 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -178.078 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -61.48 -48.4 81.26 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 175.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 592' ' ' PHE . . . . . 0.442 ' CZ ' ' HB3' ' A' ' 587' ' ' ALA . 92.9 m-85 -66.88 -42.92 84.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.069 176.177 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 593' ' ' GLU . . . . . 0.601 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 10.0 mm-40 -59.69 -40.61 88.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.846 -176.349 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 27.9 m80 -67.38 -39.59 85.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.846 0.355 . . . . 0.0 110.345 175.368 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 595' ' ' LYS . . . . . 0.594 ' HA ' ' HE3' ' A' ' 595' ' ' LYS . 0.3 OUTLIER -62.55 -37.33 85.7 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.251 177.301 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 596' ' ' ARG . . . . . 0.687 ' HB2' HD21 ' A' ' 542' ' ' LEU . 31.0 ttp85 -60.01 -47.42 85.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.951 178.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 597' ' ' LYS . . . . . 0.587 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 25.6 mmmt -58.3 -44.62 88.65 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.756 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.28 -50.87 71.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.379 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.644 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.3 tm? -59.5 -41.7 90.46 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.72 -178.637 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 600' ' ' GLU . . . . . 0.662 ' HG3' ' O ' ' A' ' 596' ' ' ARG . 50.5 mt-10 -59.4 -38.74 81.33 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.012 177.666 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 601' ' ' GLN . . . . . 0.587 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 74.0 mt-30 -63.86 -37.24 86.66 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.625 0.232 . . . . 0.0 111.625 178.746 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 602' ' ' VAL . . . . . 0.644 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.7 p -73.92 -39.26 51.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.16 -177.182 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 603' ' ' CYS . . . . . 0.653 ' HB2' HD13 ' A' ' 607' ' ' ILE . 21.6 p -83.18 -25.96 31.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.599 -178.683 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 604' ' ' ASN . . . . . 0.617 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 17.2 t30 -49.19 -54.73 26.35 Favored Pre-proline 0 N--CA 1.475 0.796 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -176.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 605' ' ' PRO . . . . . 0.617 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 50.9 Cg_exo -58.95 -25.65 78.22 Favored 'Trans proline' 0 C--N 1.358 1.039 0 C-N-CA 122.152 1.901 . . . . 0.0 112.488 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 606' ' ' ILE . . . . . 0.699 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -89.42 -41.05 13.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.217 -177.444 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 607' ' ' ILE . . . . . 0.653 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.2 mp -68.38 -30.58 48.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 C-N-CA 123.131 0.572 . . . . 0.0 111.394 -177.685 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 4.6 t -64.54 -22.24 66.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.608 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -114.68 22.76 12.65 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.196 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 610' ' ' LEU . . . . . 0.558 HD21 ' HB ' ' A' ' 562' ' ' ILE . 33.9 mt . . . . . 0 C--O 1.251 1.155 0 CA-C-O 118.417 -0.802 . . . . 0.0 110.641 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 538' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.937 0.398 . . . . 0.0 110.108 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 539' ' ' LYS . . . . . 0.674 ' NZ ' ' HB3' ' A' ' 581' ' ' LEU . 3.3 tmtm? -56.53 -47.8 78.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.377 174.399 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -63.68 -47.03 82.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.829 -178.297 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 541' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' A' ' 545' ' ' TYR . . . -58.68 -42.26 88.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.763 178.317 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.766 HD12 HG21 ' A' ' 577' ' ' VAL . 0.5 OUTLIER -65.52 -47.09 77.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.052 -177.305 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 543' ' ' GLU . . . . . 0.829 ' HG3' HD13 ' A' ' 581' ' ' LEU . 5.2 tt0 -65.48 -47.43 76.1 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.204 -177.789 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 21.0 t -57.24 -43.7 83.18 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.723 176.332 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 545' ' ' TYR . . . . . 0.499 ' CD1' HD12 ' A' ' 599' ' ' LEU . 3.2 t80 -62.96 -48.6 78.17 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.15 0.5 . . . . 0.0 109.861 -177.248 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -64.85 -42.44 94.89 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.296 179.369 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.85 -42.1 83.77 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.433 174.227 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -59.76 -50.27 74.48 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.559 -178.193 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 549' ' ' MET . . . . . 0.462 ' HG3' ' CD1' ' A' ' 599' ' ' LEU . 22.3 mmt -67.14 -43.55 82.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.299 0.571 . . . . 0.0 110.506 -179.231 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 550' ' ' LYS . . . . . 0.643 ' HG3' HD23 ' A' ' 571' ' ' LEU . 4.7 ttmm -58.76 -47.42 84.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.815 177.548 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 7.6 t -66.34 -35.75 81.14 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.006 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -63.67 -46.3 86.21 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -177.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 553' ' ' VAL . . . . . 0.8 HG11 HG11 ' A' ' 570' ' ' VAL . 32.8 m -76.25 -31.81 21.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.639 0.733 . . . . 0.0 111.237 -178.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 554' ' ' GLU . . . . . 0.567 ' HG2' HD11 ' A' ' 571' ' ' LEU . 1.3 mm-40 -89.23 3.9 50.45 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.701 178.411 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 555' ' ' ASP . . . . . 0.53 ' O ' ' HG2' ' A' ' 559' ' ' LYS . 34.1 t70 -67.15 140.17 57.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.052 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 556' ' ' GLU . . . . . 0.447 ' HA ' ' HD3' ' A' ' 559' ' ' LYS . 5.4 pt-20 -69.48 -11.78 61.11 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.305 -0.861 . . . . 0.0 112.555 -175.543 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -101.79 -19.75 14.62 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.153 177.431 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.504 HD23 ' HG3' ' A' ' 561' ' ' LYS . 12.7 mt -101.87 5.09 40.83 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -177.748 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 559' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' A' ' 555' ' ' ASP . 12.3 mmmt -48.4 -46.91 37.88 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 123.452 0.701 . . . . 0.0 112.835 -172.559 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . -102.23 -2.93 51.24 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.228 -178.315 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 561' ' ' LYS . . . . . 0.504 ' HG3' HD23 ' A' ' 558' ' ' LEU . 58.6 mmtt -69.75 -37.79 76.57 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.939 0.4 . . . . 0.0 111.114 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 562' ' ' ILE . . . . . 0.773 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.9 tt -106.26 155.52 7.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.168 -179.282 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 563' ' ' SER . . . . . 0.471 ' HB2' ' OD2' ' A' ' 566' ' ' ASP . 4.8 m -74.24 149.79 40.62 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 178.056 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -56.57 -43.01 79.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.767 0.318 . . . . 0.0 110.435 -178.153 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -59.78 -43.7 94.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.776 -177.494 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 566' ' ' ASP . . . . . 0.648 ' HB3' ' HB ' ' A' ' 606' ' ' ILE . 22.4 m-20 -66.84 -47.13 72.92 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 121.197 0.522 . . . . 0.0 109.84 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.435 ' NZ ' ' HA ' ' A' ' 554' ' ' GLU . 30.0 tttp -54.43 -48.56 71.52 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.97 -1.013 . . . . 0.0 111.118 175.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -65.02 -46.71 80.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.581 -177.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 569' ' ' LYS . . . . . 0.526 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 0.0 OUTLIER -63.35 -44.21 95.48 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.343 -174.38 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 570' ' ' VAL . . . . . 0.8 HG11 HG11 ' A' ' 553' ' ' VAL . 11.5 p -70.48 -43.52 77.9 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.055 -178.676 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 571' ' ' LEU . . . . . 0.643 HD23 ' HG3' ' A' ' 550' ' ' LYS . 35.7 mt -57.36 -48.19 79.65 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.741 0.305 . . . . 0.0 110.633 178.75 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -66.03 -40.77 91.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.339 -176.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 573' ' ' LYS . . . . . 0.603 ' CG ' HG11 ' A' ' 602' ' ' VAL . 47.4 tptt -68.65 -38.71 80.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.8 177.239 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 574' ' ' CYS . . . . . 0.509 ' SG ' HD21 ' A' ' 599' ' ' LEU . 66.0 m -61.33 -40.14 93.12 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.043 0.449 . . . . 0.0 110.068 176.215 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -67.31 -35.73 80.03 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.232 175.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 576' ' ' GLU . . . . . 0.414 ' HB3' ' O ' ' A' ' 573' ' ' LYS . 0.1 OUTLIER -58.2 -55.02 40.36 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.302 176.712 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 577' ' ' VAL . . . . . 0.766 HG21 HD12 ' A' ' 542' ' ' LEU . 1.2 p -66.38 -40.12 85.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.275 179.08 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 578' ' ' ILE . . . . . 0.975 ' HA ' HD12 ' A' ' 581' ' ' LEU . 23.0 mt -61.82 -40.8 88.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.678 0.275 . . . . 0.0 111.293 179.148 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 32.6 t -71.73 -32.28 67.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.932 0.396 . . . . 0.0 110.225 175.549 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 56.5 t90 -67.57 -37.86 83.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.428 0.632 . . . . 0.0 109.385 177.476 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 581' ' ' LEU . . . . . 0.975 HD12 ' HA ' ' A' ' 578' ' ' ILE . 17.7 mt -60.53 -46.4 90.32 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.722 176.071 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -62.76 -31.23 72.15 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.476 178.011 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -85.8 -31.32 22.39 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.968 -1.014 . . . . 0.0 111.997 -175.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -128.47 65.75 1.4 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.518 -174.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 25.5 p -77.47 -12.22 59.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.967 0.889 . . . . 0.0 109.074 171.156 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 586' ' ' LEU . . . . . 0.547 HD22 ' N ' ' A' ' 586' ' ' LEU . 1.9 mm? -87.06 -4.71 59.18 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.011 -1.45 . . . . 0.0 110.087 -178.486 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 587' ' ' ALA . . . . . 0.429 ' HB1' ' HB2' ' A' ' 591' ' ' GLU . . . -66.43 154.68 39.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.859 -178.544 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -87.58 169.01 12.54 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.291 175.497 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -55.71 -43.37 76.45 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -171.035 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 590' ' ' ASP . . . . . 0.718 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 15.1 t70 -62.99 -28.23 69.95 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -176.626 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 591' ' ' GLU . . . . . 0.429 ' HB2' ' HB1' ' A' ' 587' ' ' ALA . 10.1 mm-40 -61.3 -44.79 96.62 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.36 0.6 . . . . 0.0 109.462 174.113 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 592' ' ' PHE . . . . . 0.547 ' O ' HD21 ' A' ' 542' ' ' LEU . 77.3 m-85 -70.42 -41.16 73.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.733 176.726 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 593' ' ' GLU . . . . . 0.718 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 34.6 mm-40 -58.48 -44.94 89.52 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.32 -177.259 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 10.3 m80 -69.34 -36.28 76.76 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.831 176.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 595' ' ' LYS . . . . . 0.441 ' HD3' ' HA ' ' A' ' 595' ' ' LYS . 6.3 tppt? -64.41 -36.58 84.61 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.148 0.499 . . . . 0.0 110.224 177.288 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 596' ' ' ARG . . . . . 0.733 ' HB2' HD21 ' A' ' 542' ' ' LEU . 54.3 ttp85 -60.69 -38.61 85.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.369 176.645 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 597' ' ' LYS . . . . . 0.666 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 71.7 mmtt -67.4 -45.06 77.27 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.655 176.183 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -59.47 -52.07 67.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.426 0.632 . . . . 0.0 111.128 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.684 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.4 tm? -60.36 -39.76 88.32 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.584 -179.4 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 600' ' ' GLU . . . . . 0.592 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 39.6 tt0 -60.56 -39.04 86.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.18 177.335 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 601' ' ' GLN . . . . . 0.666 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 69.2 mt-30 -68.8 -32.2 71.75 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 179.258 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 602' ' ' VAL . . . . . 0.684 HG12 ' O ' ' A' ' 599' ' ' LEU . 2.5 p -75.48 -37.32 37.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.261 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 603' ' ' CYS . . . . . 0.659 ' HB2' HD13 ' A' ' 607' ' ' ILE . 27.4 p -83.08 -26.37 31.15 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.64 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 604' ' ' ASN . . . . . 0.625 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 26.2 t30 -49.9 -53.05 46.61 Favored Pre-proline 0 N--CA 1.474 0.741 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 -175.812 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 605' ' ' PRO . . . . . 0.625 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 51.5 Cg_exo -58.98 -27.11 83.97 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 122.206 1.938 . . . . 0.0 112.074 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 606' ' ' ILE . . . . . 0.773 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -87.33 -41.58 14.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.315 -177.857 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 607' ' ' ILE . . . . . 0.659 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -67.24 -34.36 68.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 C-N-CA 122.975 0.51 . . . . 0.0 111.005 -178.455 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 7.9 p -69.46 -17.54 63.64 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.88 0.372 . . . . 0.0 110.99 178.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -106.31 13.23 43.96 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.027 -0.606 . . . . 0.0 111.768 176.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 610' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 606' ' ' ILE . 36.6 mt . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.533 -0.746 . . . . 0.0 110.452 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 538' ' ' ALA . . . . . 0.561 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . . . . . . 0 N--CA 1.455 -0.202 0 N-CA-C 110.348 -0.241 . . . . 0.0 110.348 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 539' ' ' LYS . . . . . 0.574 ' HG2' HD22 ' A' ' 581' ' ' LEU . 11.5 tmtt? -68.53 -42.52 78.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.587 0.708 . . . . 0.0 109.648 178.673 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -58.18 -47.47 83.3 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.191 178.194 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -66.03 -43.54 87.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.668 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.687 HD21 ' HB2' ' A' ' 596' ' ' ARG . 0.4 OUTLIER -60.37 -46.86 88.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.502 -178.21 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 543' ' ' GLU . . . . . 0.479 ' HG3' HD13 ' A' ' 581' ' ' LEU . 3.2 tt0 -64.4 -48.95 73.46 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.52 -177.727 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 544' ' ' SER . . . . . 0.578 ' O ' ' HB2' ' A' ' 548' ' ' ASN . 12.5 m -61.79 -33.74 74.65 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.485 178.454 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 545' ' ' TYR . . . . . 0.564 ' CD1' HD12 ' A' ' 599' ' ' LEU . 2.2 t80 -67.02 -50.15 63.02 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -66.1 -44.65 83.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.725 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -56.98 -38.59 73.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.275 175.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 548' ' ' ASN . . . . . 0.578 ' HB2' ' O ' ' A' ' 544' ' ' SER . 20.8 t-20 -66.52 -50.1 64.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.946 -177.005 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 549' ' ' MET . . . . . 0.449 ' HG2' ' O ' ' A' ' 545' ' ' TYR . 22.4 mmt -63.62 -41.67 98.27 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.419 0.628 . . . . 0.0 110.037 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 550' ' ' LYS . . . . . 0.606 ' HG3' HD23 ' A' ' 571' ' ' LEU . 4.8 ttmm -61.06 -43.93 98.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.896 177.659 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 73.7 m -66.54 -36.94 83.92 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 177.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -67.17 -46.29 74.45 Favored 'General case' 0 C--O 1.225 -0.231 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -175.62 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 553' ' ' VAL . . . . . 0.841 HG11 HG11 ' A' ' 570' ' ' VAL . 34.8 m -74.58 -35.33 37.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.493 0.663 . . . . 0.0 110.833 -178.537 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 554' ' ' GLU . . . . . 0.591 ' HB2' ' O ' ' A' ' 550' ' ' LYS . 2.0 mm-40 -83.67 3.53 32.56 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.362 -179.645 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 555' ' ' ASP . . . . . 0.602 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 26.5 t70 -67.0 137.09 56.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.969 174.176 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -10.82 59.73 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -174.688 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -101.64 -42.41 2.32 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.272 -0.966 . . . . 0.0 111.063 174.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.913 HD23 ' HD3' ' A' ' 561' ' ' LYS . 10.6 mt -75.0 -12.41 60.32 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -67.79 -11.49 58.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.879 0.371 . . . . 0.0 110.422 175.584 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . -101.2 -3.84 53.94 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.885 175.259 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 561' ' ' LYS . . . . . 0.913 ' HD3' HD23 ' A' ' 558' ' ' LEU . 5.2 mptt -100.26 -32.25 10.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.983 0.42 . . . . 0.0 110.703 178.593 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 562' ' ' ILE . . . . . 0.829 ' HB ' HD21 ' A' ' 610' ' ' LEU . 5.2 tt -106.07 152.54 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.508 -178.649 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 7.3 m -81.87 157.52 24.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.566 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -54.21 -49.27 69.79 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 120.944 0.402 . . . . 0.0 111.042 -177.025 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -57.41 -43.29 83.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.071 -175.138 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 566' ' ' ASP . . . . . 0.629 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 21.6 m-20 -69.15 -48.24 62.87 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 121.213 0.53 . . . . 0.0 110.173 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.635 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 84.3 tttt -54.32 -48.1 71.75 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.905 176.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -66.65 -44.02 83.02 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.678 -178.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 569' ' ' LYS . . . . . 0.629 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 18.5 ptmt -65.32 -43.03 92.28 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 -174.708 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 570' ' ' VAL . . . . . 0.841 HG11 HG11 ' A' ' 553' ' ' VAL . 12.7 p -70.41 -40.61 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.832 -179.314 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 571' ' ' LEU . . . . . 0.606 HD23 ' HG3' ' A' ' 550' ' ' LYS . 33.0 mt -60.11 -49.09 79.03 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.809 0.338 . . . . 0.0 110.723 177.757 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -63.04 -44.7 95.17 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.935 -179.49 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 573' ' ' LYS . . . . . 0.6 ' HG2' HG11 ' A' ' 602' ' ' VAL . 50.0 tptt -62.48 -43.01 99.86 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.975 177.178 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 574' ' ' CYS . . . . . 0.427 ' SG ' HD21 ' A' ' 599' ' ' LEU . 61.9 m -58.39 -38.95 78.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.973 0.416 . . . . 0.0 110.831 175.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.01 -36.45 83.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.841 176.385 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -59.52 -56.51 21.09 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.871 0.367 . . . . 0.0 110.68 177.005 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 577' ' ' VAL . . . . . 0.671 HG21 HD12 ' A' ' 542' ' ' LEU . 0.7 OUTLIER -61.84 -45.73 98.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.093 -179.617 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 578' ' ' ILE . . . . . 0.973 ' HA ' HD12 ' A' ' 581' ' ' LEU . 27.6 mt -60.35 -41.24 86.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.693 0.282 . . . . 0.0 111.216 -178.509 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 47.4 t -65.35 -34.91 79.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.1 0.476 . . . . 0.0 110.554 176.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 86.5 t90 -74.15 -36.06 64.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.078 -178.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 581' ' ' LEU . . . . . 0.973 HD12 ' HA ' ' A' ' 578' ' ' ILE . 36.7 mt -59.26 -45.28 91.63 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.984 178.442 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -71.23 -25.8 62.65 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.793 179.057 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -87.13 -32.09 20.06 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.045 -176.246 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -123.54 48.4 1.86 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.08 0.467 . . . . 0.0 110.157 -179.082 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.76 -24.16 65.52 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.631 178.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -92.65 6.01 48.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.74 -175.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 587' ' ' ALA . . . . . 0.446 ' HB3' ' CE2' ' A' ' 592' ' ' PHE . . . -63.39 158.19 21.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.138 0.494 . . . . 0.0 110.364 176.794 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -84.33 171.51 12.61 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.654 176.586 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 589' ' ' LYS . . . . . 0.601 ' HG3' ' N ' ' A' ' 590' ' ' ASP . 28.5 pttt -56.8 -44.14 81.62 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.154 0.284 . . . . 0.0 111.238 -170.148 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 590' ' ' ASP . . . . . 0.601 ' N ' ' HG3' ' A' ' 589' ' ' LYS . 13.9 m-20 -63.73 -27.57 69.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.991 -0.549 . . . . 0.0 112.136 -173.192 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -65.57 -43.98 88.12 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 177.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 592' ' ' PHE . . . . . 0.561 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 83.7 m-85 -73.03 -37.56 66.85 Favored 'General case' 0 C--O 1.216 -0.675 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.187 176.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 593' ' ' GLU . . . . . 0.543 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 6.2 mm-40 -59.45 -38.16 80.04 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.976 0.417 . . . . 0.0 111.108 -178.299 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -72.25 -39.52 68.36 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.445 174.204 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 595' ' ' LYS . . . . . 0.618 ' HG2' HG23 ' A' ' 577' ' ' VAL . 0.4 OUTLIER -59.19 -36.8 76.01 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 121.128 0.49 . . . . 0.0 109.689 175.404 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 596' ' ' ARG . . . . . 0.687 ' HB2' HD21 ' A' ' 542' ' ' LEU . 18.4 ttp85 -61.07 -45.61 94.05 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.522 177.612 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 597' ' ' LYS . . . . . 0.555 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 45.5 mmtt -66.35 -39.52 89.23 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.38 177.408 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 598' ' ' GLU . . . . . 0.553 ' HB3' ' NZ ' ' A' ' 573' ' ' LYS . 32.0 mm-40 -59.64 -51.81 68.23 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.232 0.539 . . . . 0.0 110.903 177.374 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.712 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.3 tm? -66.29 -41.68 89.45 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.525 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 600' ' ' GLU . . . . . 0.503 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 30.8 tt0 -55.59 -48.65 74.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.444 178.139 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 601' ' ' GLN . . . . . 0.555 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 82.0 mt-30 -69.85 -22.43 63.27 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -177.652 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 602' ' ' VAL . . . . . 0.712 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.1 p -75.54 -41.45 41.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.327 174.419 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 603' ' ' CYS . . . . . 0.606 ' HB2' HD13 ' A' ' 607' ' ' ILE . 14.6 p -82.68 -27.17 31.45 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.653 -177.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 604' ' ' ASN . . . . . 0.62 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 43.8 t30 -50.46 -51.72 61.76 Favored Pre-proline 0 N--CA 1.47 0.568 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -175.691 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 605' ' ' PRO . . . . . 0.62 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 53.2 Cg_exo -60.29 -30.54 91.32 Favored 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 122.161 1.908 . . . . 0.0 112.032 179.317 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 606' ' ' ILE . . . . . 0.707 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -82.06 -40.51 17.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.907 -178.74 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 607' ' ' ILE . . . . . 0.606 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -66.76 -32.09 56.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.396 178.801 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 23.0 t -66.25 -17.8 64.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.237 177.277 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -107.67 2.89 34.18 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 121.139 -0.553 . . . . 0.0 112.137 177.176 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 610' ' ' LEU . . . . . 0.829 HD21 ' HB ' ' A' ' 562' ' ' ILE . 66.0 mt . . . . . 0 C--O 1.247 0.926 0 CA-C-O 119.023 -0.513 . . . . 0.0 110.226 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 538' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.16 0 CA-C-O 120.38 0.133 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -63.59 -40.11 96.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.133 0.492 . . . . 0.0 110.063 178.063 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -62.11 -46.76 87.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.394 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 541' ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' A' ' 545' ' ' TYR . . . -61.52 -40.08 93.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.611 176.044 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.482 ' HB3' HD21 ' A' ' 581' ' ' LEU . 0.2 OUTLIER -71.96 -48.38 45.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.92 -174.146 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 543' ' ' GLU . . . . . 0.493 ' CB ' HD13 ' A' ' 581' ' ' LEU . 9.7 tt0 -68.41 -38.98 81.76 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -175.617 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 22.9 m -66.95 -37.04 83.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.175 176.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 545' ' ' TYR . . . . . 0.433 ' HB2' ' O ' ' A' ' 541' ' ' ALA . 2.4 t80 -64.24 -49.32 72.38 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.358 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.58 -41.39 92.95 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.965 0.412 . . . . 0.0 110.285 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -58.25 -41.53 84.44 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.633 174.393 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 -61.09 -49.62 76.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.998 -178.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 549' ' ' MET . . . . . 0.519 ' HG3' ' CD1' ' A' ' 599' ' ' LEU . 19.2 mmt -65.83 -43.29 88.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.347 0.594 . . . . 0.0 110.228 -179.137 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 550' ' ' LYS . . . . . 0.626 ' HG3' HD23 ' A' ' 571' ' ' LEU . 4.1 ttmm -59.46 -46.03 89.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.023 176.811 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 10.4 t -65.97 -35.85 81.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.923 179.219 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -63.96 -46.14 86.01 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -177.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 553' ' ' VAL . . . . . 0.794 HG11 HG11 ' A' ' 570' ' ' VAL . 34.9 m -76.73 -35.16 24.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.333 0.587 . . . . 0.0 111.059 -178.698 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 554' ' ' GLU . . . . . 0.595 ' HA ' ' HE3' ' A' ' 567' ' ' LYS . 0.7 OUTLIER -86.4 4.38 39.71 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.366 179.473 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 555' ' ' ASP . . . . . 0.598 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 21.4 t70 -65.04 136.86 57.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.826 175.232 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 556' ' ' GLU . . . . . 0.612 ' HA ' ' HE3' ' A' ' 559' ' ' LYS . 10.3 pt-20 -69.96 -12.05 61.33 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -174.787 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -100.61 -36.18 4.12 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.488 -0.863 . . . . 0.0 111.304 177.005 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.679 ' HA ' ' HG3' ' A' ' 561' ' ' LYS . 25.3 mt -81.44 -12.17 59.0 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 179.398 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 559' ' ' LYS . . . . . 0.612 ' HE3' ' HA ' ' A' ' 556' ' ' GLU . 22.1 pttp -70.39 111.29 5.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.464 0.649 . . . . 0.0 109.25 173.198 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 116.02 -27.4 8.23 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 -171.276 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 561' ' ' LYS . . . . . 0.679 ' HG3' ' HA ' ' A' ' 558' ' ' LEU . 31.0 mmtm -75.14 -38.07 61.16 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 171.427 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 562' ' ' ILE . . . . . 0.696 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.7 tt -106.8 152.24 8.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 CA-C-N 114.82 -1.082 . . . . 0.0 109.666 177.395 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.15 154.64 24.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.626 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 564' ' ' GLU . . . . . 0.585 ' HB3' ' HE2' ' A' ' 568' ' ' LYS . 32.4 mt-10 -54.51 -46.06 73.42 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 120.434 0.159 . . . . 0.0 111.337 -173.54 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -57.63 -42.88 84.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.773 -175.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 566' ' ' ASP . . . . . 0.508 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 1.6 m-20 -67.88 -48.73 65.26 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.126 0.489 . . . . 0.0 109.746 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.666 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 84.1 tttt -54.81 -48.06 73.25 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.162 -0.927 . . . . 0.0 110.927 176.17 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 568' ' ' LYS . . . . . 0.585 ' HE2' ' HB3' ' A' ' 564' ' ' GLU . 63.5 mttm -59.75 -50.37 74.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 569' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 0.0 OUTLIER -64.36 -43.08 95.67 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.664 -172.022 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 570' ' ' VAL . . . . . 0.794 HG11 HG11 ' A' ' 553' ' ' VAL . 13.6 p -70.31 -43.11 78.74 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.016 -179.201 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 571' ' ' LEU . . . . . 0.626 HD23 ' HG3' ' A' ' 550' ' ' LYS . 41.7 mt -58.47 -48.58 80.3 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.086 0.469 . . . . 0.0 110.333 177.361 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 572' ' ' ASP . . . . . 0.412 ' O ' ' HG3' ' A' ' 576' ' ' GLU . 34.1 t70 -61.1 -47.06 88.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.574 -178.599 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 573' ' ' LYS . . . . . 0.566 ' O ' HG12 ' A' ' 577' ' ' VAL . 44.5 tptt -64.03 -40.23 95.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.093 177.247 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 574' ' ' CYS . . . . . 0.53 ' SG ' HD21 ' A' ' 599' ' ' LEU . 97.3 m -61.73 -38.87 89.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.926 0.393 . . . . 0.0 110.114 177.285 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.66 -37.02 85.34 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.739 176.047 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 576' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 572' ' ' ASP . 47.8 mt-10 -59.55 -55.58 32.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.963 0.411 . . . . 0.0 110.442 177.744 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 577' ' ' VAL . . . . . 0.566 HG12 ' O ' ' A' ' 573' ' ' LYS . 1.5 p -66.93 -40.5 85.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.647 -179.309 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 578' ' ' ILE . . . . . 0.91 ' HA ' HD12 ' A' ' 581' ' ' LEU . 19.0 mt -61.4 -38.3 79.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.866 0.365 . . . . 0.0 111.023 178.787 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 24.4 m -71.72 -27.01 62.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.134 0.492 . . . . 0.0 110.509 175.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 84.9 t90 -74.36 -37.62 63.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.561 177.306 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 581' ' ' LEU . . . . . 0.91 HD12 ' HA ' ' A' ' 578' ' ' ILE . 34.6 mt -61.15 -40.76 95.08 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.385 176.246 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -71.29 -24.19 62.1 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.809 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -95.8 -32.32 12.75 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.846 -175.277 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -114.39 47.96 1.17 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.207 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.71 -19.56 59.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.135 178.049 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -97.07 5.99 49.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.265 -177.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -66.09 162.03 20.46 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.999 0.428 . . . . 0.0 110.267 176.124 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -106.52 -177.33 3.33 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.271 177.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 589' ' ' LYS . . . . . 0.414 ' O ' ' HG3' ' A' ' 593' ' ' GLU . 0.0 OUTLIER -56.16 -48.27 76.62 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.329 0.862 . . . . 0.0 113.329 -165.573 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 590' ' ' ASP . . . . . 0.475 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 0.9 OUTLIER -68.63 -25.53 64.89 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 113.353 0.872 . . . . 0.0 113.353 -175.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -60.76 -45.9 92.53 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 173.122 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 592' ' ' PHE . . . . . 0.437 ' O ' HD21 ' A' ' 542' ' ' LEU . 92.9 m-85 -71.74 -45.71 60.86 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.517 179.133 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 593' ' ' GLU . . . . . 0.475 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 46.7 mt-10 -59.1 -40.0 83.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.751 0.31 . . . . 0.0 111.103 -176.293 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -69.21 -38.68 78.71 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.262 175.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 595' ' ' LYS . . . . . 0.435 ' HD3' ' HA ' ' A' ' 595' ' ' LYS . 12.6 tppt? -64.09 -35.41 80.67 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 120.899 0.38 . . . . 0.0 110.381 177.486 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 596' ' ' ARG . . . . . 0.66 ' O ' ' HG3' ' A' ' 600' ' ' GLU . 10.1 ttm180 -58.49 -47.64 83.43 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.273 177.662 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 597' ' ' LYS . . . . . 0.581 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 26.6 mmmt -55.98 -42.02 75.7 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.818 177.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 598' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 595' ' ' LYS . 12.8 mm-40 -59.61 -53.12 61.72 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 121.847 0.832 . . . . 0.0 111.009 178.285 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.64 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.4 tm? -59.05 -43.85 91.73 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.881 -1.054 . . . . 0.0 109.692 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 600' ' ' GLU . . . . . 0.66 ' HG3' ' O ' ' A' ' 596' ' ' ARG . 34.8 mt-10 -57.27 -38.14 73.46 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.353 179.069 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 601' ' ' GLN . . . . . 0.581 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 77.8 mt-30 -68.18 -31.83 71.65 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 602' ' ' VAL . . . . . 0.64 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.3 p -74.39 -38.9 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.858 178.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 603' ' ' CYS . . . . . 0.693 ' HB2' HD13 ' A' ' 607' ' ' ILE . 24.6 p -84.28 -25.93 28.97 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.375 -177.729 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 604' ' ' ASN . . . . . 0.623 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 23.1 t30 -49.1 -54.17 31.43 Favored Pre-proline 0 N--CA 1.474 0.727 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -176.463 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 605' ' ' PRO . . . . . 0.623 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 52.0 Cg_exo -59.17 -24.84 75.75 Favored 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 122.084 1.856 . . . . 0.0 112.45 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 606' ' ' ILE . . . . . 0.696 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -90.61 -40.76 12.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.437 -177.901 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 607' ' ' ILE . . . . . 0.693 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.2 mp -65.37 -26.94 40.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.951 -179.112 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 8.4 t -62.68 -15.92 54.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.743 178.525 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -120.83 11.08 10.19 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.602 178.072 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 610' ' ' LEU . . . . . 0.657 HD22 HD22 ' A' ' 558' ' ' LEU . 62.1 mt . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.522 -0.751 . . . . 0.0 110.61 -178.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 538' ' ' ALA . . . . . 0.545 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . . . . . . 0 CA--C 1.52 -0.189 0 CA-C-O 120.738 0.304 . . . . 0.0 110.731 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 539' ' ' LYS . . . . . 0.561 ' NZ ' ' HB3' ' A' ' 581' ' ' LEU . 2.4 tmtm? -65.46 -48.78 71.49 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.357 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -59.77 -47.27 86.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.434 178.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -59.31 -44.52 92.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.14 178.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 542' ' ' LEU . . . . . 0.7 HD21 ' HB2' ' A' ' 596' ' ' ARG . 0.2 OUTLIER -66.83 -46.9 73.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.482 -176.167 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 543' ' ' GLU . . . . . 0.965 ' HG3' HD13 ' A' ' 581' ' ' LEU . 4.2 tt0 -66.0 -45.44 81.54 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.691 -178.05 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 544' ' ' SER . . . . . 0.487 ' O ' ' HB2' ' A' ' 548' ' ' ASN . 9.4 t -61.81 -34.4 75.86 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 177.325 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 545' ' ' TYR . . . . . 0.48 ' O ' ' HG2' ' A' ' 549' ' ' MET . 3.5 t80 -67.62 -50.05 59.98 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 -179.319 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -66.36 -42.5 87.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.504 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -57.98 -40.06 79.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.553 175.316 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 548' ' ' ASN . . . . . 0.487 ' HB2' ' O ' ' A' ' 544' ' ' SER . 30.1 t-20 -65.64 -49.51 68.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.154 -176.228 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 549' ' ' MET . . . . . 0.48 ' HG2' ' O ' ' A' ' 545' ' ' TYR . 16.5 mmt -63.99 -43.53 95.43 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 121.553 0.692 . . . . 0.0 109.723 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 550' ' ' LYS . . . . . 0.619 ' HG3' HD23 ' A' ' 571' ' ' LEU . 3.4 ttmm -57.72 -46.81 83.9 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.72 -1.127 . . . . 0.0 111.306 176.001 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 69.0 m -65.93 -35.78 81.55 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.73 178.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -66.04 -46.1 79.03 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -177.505 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 553' ' ' VAL . . . . . 0.834 HG11 HG11 ' A' ' 570' ' ' VAL . 33.8 m -75.67 -31.09 22.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.468 0.651 . . . . 0.0 111.255 -178.789 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 554' ' ' GLU . . . . . 0.64 ' HA ' ' NZ ' ' A' ' 567' ' ' LYS . 0.1 OUTLIER -86.63 5.47 35.72 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.818 178.357 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 555' ' ' ASP . . . . . 0.435 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 31.9 t70 -76.48 129.26 36.25 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.479 174.564 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 556' ' ' GLU . . . . . 0.466 ' O ' ' HG2' ' A' ' 559' ' ' LYS . 62.5 mm-40 -71.31 -5.03 29.28 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -178.341 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 557' ' ' GLY . . . . . 0.451 ' O ' ' HE3' ' A' ' 561' ' ' LYS . . . -96.79 -30.41 7.58 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.165 -1.017 . . . . 0.0 110.789 174.583 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 558' ' ' LEU . . . . . 0.918 HD23 ' HD2' ' A' ' 561' ' ' LYS . 2.0 mt -86.95 0.55 54.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.238 -0.481 . . . . 0.0 111.431 179.137 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 559' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' ' 556' ' ' GLU . 20.9 ptmt -64.34 132.92 51.55 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 173.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 94.31 -33.5 5.24 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.491 -0.861 . . . . 0.0 111.559 -176.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 561' ' ' LYS . . . . . 0.918 ' HD2' HD23 ' A' ' 558' ' ' LEU . 81.5 mttt -67.73 -36.77 81.19 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 176.222 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 562' ' ' ILE . . . . . 0.646 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.5 tt -113.34 148.23 16.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.572 176.114 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.11 143.83 47.21 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 173.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -60.14 -30.85 69.57 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.327 -175.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.89 97.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.629 0.252 . . . . 0.0 111.129 176.276 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 566' ' ' ASP . . . . . 0.503 ' O ' HG12 ' A' ' 570' ' ' VAL . 3.4 m-20 -67.77 -43.66 79.3 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 177.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 567' ' ' LYS . . . . . 0.64 ' NZ ' ' HA ' ' A' ' 554' ' ' GLU . 27.8 tttp -54.05 -48.97 70.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.586 174.715 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -65.23 -46.23 81.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.711 -178.369 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 569' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 17.7 pttt -66.24 -42.6 88.37 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.62 -0.263 . . . . 0.0 110.591 -174.548 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 570' ' ' VAL . . . . . 0.834 HG11 HG11 ' A' ' 553' ' ' VAL . 14.0 p -70.01 -40.25 78.33 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.84 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 571' ' ' LEU . . . . . 0.619 HD23 ' HG3' ' A' ' 550' ' ' LYS . 31.9 mt -59.03 -48.14 82.66 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.957 0.408 . . . . 0.0 110.091 176.55 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -62.87 -46.14 89.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.621 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 573' ' ' LYS . . . . . 0.599 ' CG ' HG11 ' A' ' 602' ' ' VAL . 50.2 tptt -62.45 -41.07 98.48 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.862 177.143 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 574' ' ' CYS . . . . . 0.446 ' SG ' HD21 ' A' ' 599' ' ' LEU . 95.5 m -61.17 -38.21 85.65 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.365 175.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -65.12 -36.64 84.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.034 175.595 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 576' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' ' 573' ' ' LYS . 60.8 mt-10 -58.38 -56.13 26.04 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.287 0.565 . . . . 0.0 110.829 176.407 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 577' ' ' VAL . . . . . 0.611 HG21 HD12 ' A' ' 542' ' ' LEU . 1.3 p -66.12 -39.88 85.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.414 -178.521 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 578' ' ' ILE . . . . . 0.936 ' HA ' HD12 ' A' ' 581' ' ' LEU . 19.2 mt -64.23 -39.21 84.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 CA-C-O 120.696 0.284 . . . . 0.0 111.643 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 36.0 p -72.12 -32.84 67.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.944 0.402 . . . . 0.0 110.465 175.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 59.3 t90 -65.97 -40.88 91.63 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-O 121.583 0.706 . . . . 0.0 109.105 176.099 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 581' ' ' LEU . . . . . 0.965 HD13 ' HG3' ' A' ' 543' ' ' GLU . 15.8 mt -57.67 -44.29 85.63 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.34 178.123 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -69.33 -27.66 65.56 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.986 178.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -89.32 -32.35 17.38 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.949 -175.215 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -112.35 57.48 0.65 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.032 -178.552 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 4.1 p -68.77 -19.62 64.33 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.628 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -96.11 5.84 50.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.964 0.412 . . . . 0.0 110.818 -177.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 587' ' ' ALA . . . . . 0.432 ' HB1' ' HB2' ' A' ' 591' ' ' GLU . . . -65.62 153.17 42.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.737 177.613 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -95.51 175.5 6.54 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.385 176.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 589' ' ' LYS . . . . . 0.509 ' O ' ' HG3' ' A' ' 593' ' ' GLU . 19.2 pttp -55.56 -45.16 77.31 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -167.498 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 590' ' ' ASP . . . . . 0.602 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 8.5 p-10 -65.41 -26.38 67.96 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.532 0.568 . . . . 0.0 112.532 -175.653 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 591' ' ' GLU . . . . . 0.432 ' HB2' ' HB1' ' A' ' 587' ' ' ALA . 22.9 mm-40 -60.75 -43.93 97.33 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 172.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 592' ' ' PHE . . . . . 0.545 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 70.2 m-85 -70.53 -44.48 67.44 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.705 176.044 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 593' ' ' GLU . . . . . 0.602 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 44.1 mt-10 -60.11 -39.71 87.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.368 -176.361 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 594' ' ' HIS . . . . . 0.417 ' O ' ' HG3' ' A' ' 598' ' ' GLU . 18.2 m80 -70.45 -37.56 74.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.844 0.354 . . . . 0.0 110.464 175.479 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 595' ' ' LYS . . . . . 0.427 ' HA ' ' HE3' ' A' ' 595' ' ' LYS . 0.3 OUTLIER -65.15 -35.83 82.33 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.576 0.703 . . . . 0.0 109.414 177.504 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 596' ' ' ARG . . . . . 0.7 ' HB2' HD21 ' A' ' 542' ' ' LEU . 15.1 ttp85 -60.63 -40.45 91.97 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 114.675 -1.148 . . . . 0.0 109.526 178.432 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 597' ' ' LYS . . . . . 0.526 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 48.6 mmtm -58.57 -46.69 86.37 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.278 175.513 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 598' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 594' ' ' HIS . 58.8 mt-10 -60.44 -57.25 13.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.541 -178.195 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 599' ' ' LEU . . . . . 0.673 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.5 tm? -58.54 -41.69 86.13 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.835 -178.146 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 600' ' ' GLU . . . . . 0.578 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 25.1 tt0 -59.57 -38.63 81.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.008 179.195 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 601' ' ' GLN . . . . . 0.526 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 84.2 mt-30 -69.58 -28.82 66.29 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 178.179 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 602' ' ' VAL . . . . . 0.673 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.4 p -75.0 -39.35 44.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.508 178.296 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 603' ' ' CYS . . . . . 0.674 ' HB2' HD13 ' A' ' 607' ' ' ILE . 21.4 p -83.96 -28.17 27.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.949 -177.366 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 604' ' ' ASN . . . . . 0.624 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 23.1 t30 -50.5 -54.35 36.12 Favored Pre-proline 0 N--CA 1.472 0.652 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -176.513 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 605' ' ' PRO . . . . . 0.624 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 45.4 Cg_exo -61.38 -20.34 67.94 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 122.326 2.017 . . . . 0.0 112.834 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 606' ' ' ILE . . . . . 0.675 ' O ' HD13 ' A' ' 610' ' ' LEU . 0.0 OUTLIER -91.72 -41.0 12.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.23 -178.899 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 607' ' ' ILE . . . . . 0.674 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.1 mp -63.86 -17.69 20.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 C-N-CA 123.653 0.781 . . . . 0.0 112.079 -174.549 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 5.2 p -67.52 -1.4 4.92 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -178.252 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -131.66 16.41 5.09 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 110.424 -1.07 . . . . 0.0 110.424 176.322 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 610' ' ' LEU . . . . . 0.776 ' HG ' HD22 ' A' ' 558' ' ' LEU . 10.6 mp . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.33 -0.843 . . . . 0.0 110.309 -174.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 N--CA 1.475 0.815 0 CA-C-O 121.073 0.464 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.428 ' O ' ' HB2' ' A' ' 542' ' ' LEU . . . -65.96 -25.17 66.99 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.49 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 539' ' ' LYS . . . . . 0.568 ' HE3' HG22 ' A' ' 585' ' ' THR . 13.7 tmtt? -64.17 -48.51 75.67 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 176.372 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -63.29 -41.22 98.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.11 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -62.12 -44.9 95.63 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.055 0.455 . . . . 0.0 110.7 177.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.768 HD12 HG21 ' A' ' 577' ' ' VAL . 0.3 OUTLIER -64.87 -47.31 78.34 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.688 -177.018 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 543' ' ' GLU . . . . . 0.562 ' CB ' HD13 ' A' ' 581' ' ' LEU . 8.5 tt0 -67.06 -42.14 85.27 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.53 -176.166 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 39.7 m -63.46 -42.01 98.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.229 177.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 545' ' ' TYR . . . . . 0.451 ' OH ' ' HG2' ' A' ' 600' ' ' GLU . 1.5 t80 -61.54 -49.13 77.95 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 178.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -64.53 -41.99 96.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.305 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -58.08 -43.48 87.06 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.63 175.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -61.23 -49.62 76.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.936 -178.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 549' ' ' MET . . . . . . . . . . . . . 21.8 mmt -64.57 -42.63 95.53 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.405 0.621 . . . . 0.0 110.291 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 550' ' ' LYS . . . . . 0.591 ' O ' ' HB2' ' A' ' 554' ' ' GLU . 4.4 ttmm -59.51 -45.98 90.17 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.809 177.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 66.3 m -65.52 -35.41 80.78 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.435 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -67.42 -46.8 72.12 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -177.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 553' ' ' VAL . . . . . 0.853 HG11 HG11 ' A' ' 570' ' ' VAL . 35.0 m -74.92 -34.35 32.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.186 0.517 . . . . 0.0 111.108 -179.007 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 554' ' ' GLU . . . . . 0.614 ' HG2' HD11 ' A' ' 571' ' ' LEU . 0.9 OUTLIER -86.37 1.19 52.1 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.776 179.521 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 555' ' ' ASP . . . . . 0.496 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 14.7 t70 -63.07 141.93 58.58 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 173.547 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -69.22 -13.71 62.56 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -173.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -103.2 -42.89 1.97 Allowed Glycine 0 N--CA 1.441 -0.991 0 C-N-CA 119.494 -1.336 . . . . 0.0 111.471 176.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.928 HD23 ' HD2' ' A' ' 561' ' ' LYS . 17.3 mt -70.4 -14.73 62.68 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.56 0.219 . . . . 0.0 111.256 177.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 559' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 560' ' ' GLY . 0.1 OUTLIER -61.76 -19.0 61.99 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.343 178.664 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 560' ' ' GLY . . . . . 0.456 ' N ' ' HD3' ' A' ' 559' ' ' LYS . . . -109.46 0.85 30.88 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.743 177.101 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 561' ' ' LYS . . . . . 0.928 ' HD2' HD23 ' A' ' 558' ' ' LEU . 82.5 mttt -96.36 -28.6 14.4 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.2 0.524 . . . . 0.0 110.203 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 562' ' ' ILE . . . . . 0.691 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.9 tt -105.98 156.78 6.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.407 177.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 563' ' ' SER . . . . . 0.453 ' N ' HG12 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -79.47 148.97 31.68 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 178.909 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -54.55 -44.73 73.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.818 0.342 . . . . 0.0 111.086 -173.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -59.49 -43.25 93.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.067 -177.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 566' ' ' ASP . . . . . 0.478 ' O ' HG12 ' A' ' 570' ' ' VAL . 17.1 m-20 -67.07 -45.74 76.42 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.285 0.564 . . . . 0.0 109.876 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.458 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 52.0 tttm -54.34 -47.66 72.31 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.892 -1.049 . . . . 0.0 110.873 174.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -63.88 -49.36 73.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.887 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 569' ' ' LYS . . . . . 0.472 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 18.7 ptmt -64.85 -42.09 95.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.688 -172.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 570' ' ' VAL . . . . . 0.853 HG11 HG11 ' A' ' 553' ' ' VAL . 13.2 p -70.2 -40.55 78.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.685 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 571' ' ' LEU . . . . . 0.614 HD11 ' HG2' ' A' ' 554' ' ' GLU . 44.5 mt -60.37 -47.74 84.75 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.745 0.307 . . . . 0.0 110.592 177.23 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -62.38 -43.92 97.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.379 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 573' ' ' LYS . . . . . 0.601 ' CG ' HG11 ' A' ' 602' ' ' VAL . 49.1 tptt -64.68 -41.79 95.79 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.772 177.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 574' ' ' CYS . . . . . 0.495 ' SG ' HD21 ' A' ' 599' ' ' LEU . 67.1 m -62.18 -39.26 92.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.481 176.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.68 -36.16 81.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.479 175.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 576' ' ' GLU . . . . . 0.453 ' HB3' ' O ' ' A' ' 573' ' ' LYS . 1.5 tt0 -58.36 -56.36 23.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.163 177.667 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 577' ' ' VAL . . . . . 0.768 HG21 HD12 ' A' ' 542' ' ' LEU . 1.4 p -66.56 -42.78 90.53 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.532 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.445 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 578' ' ' ILE . . . . . 0.904 ' HA ' HD12 ' A' ' 581' ' ' LEU . 24.3 mt -61.83 -41.74 91.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 111.706 0.262 . . . . 0.0 111.706 -178.476 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 20.9 t -72.02 -25.93 62.01 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.206 0.527 . . . . 0.0 110.273 177.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 580' ' ' TRP . . . . . 0.705 ' CZ2' ' HG3' ' A' ' 591' ' ' GLU . 57.8 t90 -77.44 -39.35 47.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.083 176.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 581' ' ' LEU . . . . . 0.904 HD12 ' HA ' ' A' ' 578' ' ' ILE . 38.9 mt -56.52 -45.32 81.17 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.417 0.627 . . . . 0.0 110.232 176.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -65.47 -22.2 66.72 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.754 -1.112 . . . . 0.0 110.714 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -97.78 -32.43 11.73 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.181 -175.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -123.36 55.06 1.24 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.124 0.488 . . . . 0.0 110.708 -175.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 585' ' ' THR . . . . . 0.568 HG22 ' HE3' ' A' ' 539' ' ' LYS . 7.3 p -67.11 -21.55 65.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.635 0.731 . . . . 0.0 110.435 174.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 586' ' ' LEU . . . . . 0.484 HD22 ' N ' ' A' ' 586' ' ' LEU . 2.2 mm? -90.91 5.4 48.77 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.521 -175.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 587' ' ' ALA . . . . . 0.426 ' HB3' ' CE2' ' A' ' 592' ' ' PHE . . . -62.43 157.31 20.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.436 177.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -75.48 166.26 23.85 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 176.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -56.35 -44.61 80.23 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.093 -177.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 590' ' ' ASP . . . . . 0.527 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 12.0 m-20 -62.89 -26.99 69.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.93 -176.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 591' ' ' GLU . . . . . 0.705 ' HG3' ' CZ2' ' A' ' 580' ' ' TRP . 17.5 tp10 -65.93 -43.81 86.98 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 592' ' ' PHE . . . . . 0.46 ' O ' HD21 ' A' ' 542' ' ' LEU . 89.3 m-85 -71.24 -40.15 71.22 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.85 176.303 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 593' ' ' GLU . . . . . 0.527 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 55.2 mm-40 -58.19 -42.05 85.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.973 0.416 . . . . 0.0 110.393 -179.453 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -71.4 -37.19 71.55 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.411 176.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 7.5 tppt? -62.96 -36.81 84.69 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.141 0.496 . . . . 0.0 110.02 178.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 596' ' ' ARG . . . . . 0.662 ' HB2' HD21 ' A' ' 542' ' ' LEU . 17.7 ttp180 -60.16 -48.88 79.86 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.088 176.315 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 597' ' ' LYS . . . . . 0.601 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 32.6 mmtp -55.78 -43.36 76.69 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.663 177.323 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 598' ' ' GLU . . . . . 0.436 ' HB3' ' NZ ' ' A' ' 573' ' ' LYS . 45.0 mt-10 -60.02 -53.61 55.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.877 177.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.676 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.0 tm? -60.25 -42.88 96.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.708 -178.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 600' ' ' GLU . . . . . 0.559 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 48.2 mt-10 -57.51 -44.8 85.33 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.917 177.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 601' ' ' GLN . . . . . 0.601 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 49.5 mt-30 -65.95 -28.44 68.91 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.108 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 602' ' ' VAL . . . . . 0.676 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.4 p -76.24 -40.68 36.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 120.309 -0.556 . . . . 0.0 110.811 178.024 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 603' ' ' CYS . . . . . 0.65 ' HB2' HD13 ' A' ' 607' ' ' ILE . 15.3 p -83.3 -27.28 29.91 Favored 'General case' 0 C--O 1.219 -0.5 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.584 -177.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 604' ' ' ASN . . . . . 0.612 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 23.3 t30 -50.39 -52.99 49.76 Favored Pre-proline 0 N--CA 1.471 0.622 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -177.047 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 605' ' ' PRO . . . . . 0.612 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 51.7 Cg_exo -60.48 -21.61 68.78 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 122.179 1.919 . . . . 0.0 112.453 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 606' ' ' ILE . . . . . 0.691 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -91.98 -41.32 12.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.36 -179.798 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 607' ' ' ILE . . . . . 0.65 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -68.31 -29.51 44.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 C-N-CA 123.279 0.632 . . . . 0.0 111.233 -178.528 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 4.1 p -67.49 -11.79 58.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.96 0.409 . . . . 0.0 111.595 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -116.94 17.32 13.03 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.402 176.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 610' ' ' LEU . . . . . . . . . . . . . 93.4 mt . . . . . 0 C--O 1.251 1.167 0 CA-C-O 118.712 -0.661 . . . . 0.0 110.514 -178.35 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 5.7 p . . . . . 0 N--CA 1.479 0.976 0 CA-C-O 121.028 0.442 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.565 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . -71.9 -36.33 69.99 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.702 -175.087 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 539' ' ' LYS . . . . . 0.684 ' HG2' HD22 ' A' ' 581' ' ' LEU . 9.3 tmtt? -66.43 -42.43 87.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.086 0.47 . . . . 0.0 109.979 178.209 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -62.62 -41.27 98.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.135 177.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -63.83 -47.52 80.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.585 175.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.725 ' HB3' HD21 ' A' ' 581' ' ' LEU . 0.3 OUTLIER -63.24 -47.87 80.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.826 -0.624 . . . . 0.0 112.234 -175.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 543' ' ' GLU . . . . . 0.535 ' CB ' HD13 ' A' ' 581' ' ' LEU . 9.8 tt0 -68.21 -38.9 82.42 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-N 116.341 -0.39 . . . . 0.0 109.997 -176.26 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 15.3 t -66.31 -41.09 90.21 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.818 176.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 545' ' ' TYR . . . . . 0.495 ' CD1' HD12 ' A' ' 599' ' ' LEU . 2.2 t80 -61.83 -48.89 78.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.985 178.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.05 -43.62 91.68 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.321 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -57.55 -41.49 81.09 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.527 175.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 -61.57 -50.18 73.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.019 -178.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 549' ' ' MET . . . . . . . . . . . . . 22.8 mmt -65.91 -42.29 90.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.634 0.731 . . . . 0.0 110.249 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 550' ' ' LYS . . . . . 0.617 ' HG3' HD23 ' A' ' 571' ' ' LEU . 2.0 ttmm -59.62 -45.28 92.42 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.643 -1.162 . . . . 0.0 111.067 176.476 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 11.0 t -66.64 -37.02 83.96 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.926 178.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -62.76 -45.41 92.84 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -176.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 553' ' ' VAL . . . . . 0.714 HG11 HG11 ' A' ' 570' ' ' VAL . 35.9 m -76.25 -34.89 26.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.468 0.651 . . . . 0.0 111.206 -178.505 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 554' ' ' GLU . . . . . 0.557 ' HG2' HD11 ' A' ' 571' ' ' LEU . 0.3 OUTLIER -89.21 4.88 47.18 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.212 -0.904 . . . . 0.0 112.313 179.831 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 555' ' ' ASP . . . . . 0.591 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 31.9 t70 -65.71 138.34 57.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.354 0.597 . . . . 0.0 111.533 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 556' ' ' GLU . . . . . 0.405 ' C ' ' HG3' ' A' ' 559' ' ' LYS . 7.8 pt-20 -72.14 -8.86 57.06 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.017 -0.992 . . . . 0.0 113.111 -178.077 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 557' ' ' GLY . . . . . 0.554 ' O ' ' HE3' ' A' ' 561' ' ' LYS . . . -102.24 -36.44 3.61 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.547 -0.835 . . . . 0.0 111.101 175.147 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.912 HD23 ' HD2' ' A' ' 561' ' ' LYS . 1.7 mt -80.58 4.04 19.84 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.183 -0.508 . . . . 0.0 112.06 178.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 559' ' ' LYS . . . . . 0.405 ' HG3' ' C ' ' A' ' 556' ' ' GLU . 0.0 OUTLIER -57.79 129.19 40.76 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.308 0.575 . . . . 0.0 110.889 176.848 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 87.14 -14.35 57.59 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.729 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 561' ' ' LYS . . . . . 0.912 ' HD2' HD23 ' A' ' 558' ' ' LEU . 82.1 mttt -78.18 -27.77 48.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.22 0.534 . . . . 0.0 110.174 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 562' ' ' ILE . . . . . 0.737 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.4 tt -117.1 153.25 18.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 174.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 21.3 t -81.35 156.39 25.5 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 564' ' ' GLU . . . . . 0.639 ' HB3' ' HE2' ' A' ' 568' ' ' LYS . 14.6 mm-40 -55.63 -46.29 77.45 Favored 'General case' 0 C--O 1.221 -0.409 0 O-C-N 123.023 0.202 . . . . 0.0 110.804 -174.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -57.7 -43.5 85.19 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -175.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 566' ' ' ASP . . . . . 0.494 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 6.5 m-20 -68.25 -46.69 69.78 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.279 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.509 ' HE3' ' HG2' ' A' ' 554' ' ' GLU . 75.2 tttt -54.78 -48.41 72.71 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.816 175.245 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 568' ' ' LYS . . . . . 0.639 ' HE2' ' HB3' ' A' ' 564' ' ' GLU . 65.3 mttm -63.26 -46.77 85.3 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.623 -179.629 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 569' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 0.0 OUTLIER -64.05 -42.56 96.99 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.32 -174.348 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 570' ' ' VAL . . . . . 0.714 HG11 HG11 ' A' ' 553' ' ' VAL . 12.5 p -70.6 -42.26 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.737 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 571' ' ' LEU . . . . . 0.617 HD23 ' HG3' ' A' ' 550' ' ' LYS . 28.4 mt -59.72 -45.92 90.69 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.606 0.241 . . . . 0.0 110.693 178.015 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -62.15 -47.35 84.95 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.45 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 573' ' ' LYS . . . . . 0.607 ' O ' HG12 ' A' ' 577' ' ' VAL . 49.6 tptt -64.95 -39.94 94.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.012 179.077 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 574' ' ' CYS . . . . . 0.51 ' SG ' HD21 ' A' ' 599' ' ' LEU . 68.2 m -62.42 -41.31 98.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.968 0.413 . . . . 0.0 110.114 177.058 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -61.21 -41.98 97.78 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.411 174.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -59.76 -52.6 64.79 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.074 -178.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 577' ' ' VAL . . . . . 0.687 HG21 HD12 ' A' ' 542' ' ' LEU . 1.5 p -66.83 -39.7 84.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.354 177.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 578' ' ' ILE . . . . . 1.013 ' HA ' HD12 ' A' ' 581' ' ' LEU . 14.4 mt -60.71 -41.46 88.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.864 0.364 . . . . 0.0 110.963 179.389 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 35.4 m -68.39 -32.02 71.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.821 0.343 . . . . 0.0 110.494 174.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 83.1 t90 -69.49 -37.66 77.32 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.697 178.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 581' ' ' LEU . . . . . 1.013 HD12 ' HA ' ' A' ' 578' ' ' ILE . 33.7 mt -59.58 -43.89 93.5 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.459 177.498 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -67.61 -33.82 75.75 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.322 178.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -82.33 -32.49 29.36 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.461 -0.79 . . . . 0.0 112.356 -175.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 584' ' ' ASN . . . . . 0.404 ' HB3' ' HB2' ' A' ' 587' ' ' ALA . 3.2 m-20 -114.89 49.42 1.05 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.102 0.477 . . . . 0.0 110.22 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.34 -21.43 65.29 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.341 0.591 . . . . 0.0 111.059 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -96.62 5.9 49.79 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.044 -174.514 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 587' ' ' ALA . . . . . 0.428 ' HB1' ' HB2' ' A' ' 591' ' ' GLU . . . -67.55 157.06 35.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.107 0.48 . . . . 0.0 111.218 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -85.03 170.15 13.26 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.739 173.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 589' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 590' ' ' ASP . 18.6 pttp -57.12 -45.12 83.75 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -172.261 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 590' ' ' ASP . . . . . 0.568 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 2.9 m-20 -58.11 -31.54 67.24 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -177.42 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 591' ' ' GLU . . . . . 0.428 ' HB2' ' HB1' ' A' ' 587' ' ' ALA . 30.3 mm-40 -62.14 -47.93 82.36 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 177.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 592' ' ' PHE . . . . . 0.565 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 75.8 m-85 -66.96 -40.13 87.42 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 115.157 -0.928 . . . . 0.0 109.888 176.451 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 593' ' ' GLU . . . . . 0.568 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 33.2 mt-10 -59.0 -38.73 79.87 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.32 -177.381 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 594' ' ' HIS . . . . . 0.41 ' O ' ' HG3' ' A' ' 598' ' ' GLU . 39.4 m80 -69.37 -41.71 76.15 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.751 0.31 . . . . 0.0 110.409 175.354 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 595' ' ' LYS . . . . . 0.448 ' HG2' HG23 ' A' ' 577' ' ' VAL . 13.4 tppt? -60.31 -36.34 77.68 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.526 176.139 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 596' ' ' ARG . . . . . 0.678 ' HB2' HD21 ' A' ' 542' ' ' LEU . 30.5 ttp180 -60.34 -41.77 94.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.722 178.534 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 597' ' ' LYS . . . . . 0.68 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 31.0 mmtp -61.27 -45.2 95.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.184 175.488 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 598' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 594' ' ' HIS . 29.8 mt-10 -60.04 -54.53 44.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.495 0.664 . . . . 0.0 111.147 -178.483 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.666 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.6 tm? -58.49 -42.15 86.93 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.228 -0.897 . . . . 0.0 109.568 178.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 600' ' ' GLU . . . . . 0.526 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 35.6 tt0 -56.45 -43.08 79.17 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.811 177.129 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 601' ' ' GLN . . . . . 0.68 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 73.4 mt-30 -67.47 -29.54 69.01 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 -178.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 602' ' ' VAL . . . . . 0.666 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.6 p -75.74 -39.77 39.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.748 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 603' ' ' CYS . . . . . 0.586 ' HA ' HD13 ' A' ' 606' ' ' ILE . 9.5 p -83.41 -27.75 29.36 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.779 -178.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 604' ' ' ASN . . . . . 0.638 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 33.4 t30 -49.97 -54.43 32.82 Favored Pre-proline 0 CA--C 1.537 0.477 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -175.438 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 605' ' ' PRO . . . . . 0.638 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 52.7 Cg_exo -60.24 -26.84 83.6 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 122.107 1.871 . . . . 0.0 112.461 -179.265 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 606' ' ' ILE . . . . . 0.737 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -83.68 -40.64 16.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.692 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 607' ' ' ILE . . . . . 0.585 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.4 mp -65.0 -30.58 50.79 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.595 178.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 45.7 m -59.69 -23.22 62.95 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.598 177.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -110.27 7.52 30.65 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.241 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 610' ' ' LEU . . . . . 0.657 HD21 ' HB ' ' A' ' 562' ' ' ILE . 73.8 mt . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.583 -0.722 . . . . 0.0 110.453 -178.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 56.9 m . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 120.669 0.271 . . . . 0.0 111.503 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.639 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . -65.92 -26.42 67.59 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.651 -0.25 . . . . 0.0 110.886 179.222 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 539' ' ' LYS . . . . . 0.477 ' NZ ' ' HB3' ' A' ' 581' ' ' LEU . 2.3 tmtm? -60.88 -48.8 80.15 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.08 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -62.83 -47.22 84.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.797 -177.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -60.17 -43.04 96.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.781 178.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.785 HD12 HD21 ' A' ' 581' ' ' LEU . 2.5 tm? -66.14 -47.82 72.81 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.289 -176.715 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 543' ' ' GLU . . . . . 0.984 ' HG3' HD13 ' A' ' 581' ' ' LEU . 7.2 tt0 -65.17 -47.83 75.63 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 120.865 0.364 . . . . 0.0 110.34 -177.521 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 16.3 m -59.68 -32.7 70.73 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.381 178.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 545' ' ' TYR . . . . . 0.476 ' CD1' HD12 ' A' ' 599' ' ' LEU . 3.2 t80 -66.13 -49.33 67.85 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 178.609 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.98 -41.11 91.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.201 0.524 . . . . 0.0 110.159 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -57.33 -43.99 83.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.624 173.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 50.8 m-20 -59.66 -49.83 76.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.702 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 549' ' ' MET . . . . . 0.416 ' HG3' ' CD1' ' A' ' 599' ' ' LEU . 22.0 mmt -66.68 -43.47 84.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.22 0.533 . . . . 0.0 110.612 -178.041 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 550' ' ' LYS . . . . . 0.665 ' HG3' HD23 ' A' ' 571' ' ' LEU . 6.7 ttmm -58.6 -47.72 83.37 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.91 176.554 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 14.1 t -66.16 -36.12 82.27 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.151 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -63.84 -45.94 87.27 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -177.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 553' ' ' VAL . . . . . 0.847 HG11 HG11 ' A' ' 570' ' ' VAL . 34.5 m -76.71 -34.85 24.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.312 0.577 . . . . 0.0 111.212 -178.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 554' ' ' GLU . . . . . 0.62 ' HG2' HD11 ' A' ' 571' ' ' LEU . 1.1 mm-40 -86.95 3.62 45.0 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.381 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 555' ' ' ASP . . . . . 0.638 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 24.2 t70 -64.03 142.08 58.54 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.148 179.36 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 556' ' ' GLU . . . . . 0.931 ' HA ' ' HE3' ' A' ' 559' ' ' LYS . 35.8 mt-10 -69.4 -18.43 63.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.265 -176.571 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -97.66 -33.12 5.97 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.386 -0.911 . . . . 0.0 111.02 178.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.711 ' HA ' ' HG3' ' A' ' 561' ' ' LYS . 32.3 mt -86.15 -6.36 59.01 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 559' ' ' LYS . . . . . 0.931 ' HE3' ' HA ' ' A' ' 556' ' ' GLU . 19.6 ptpt -67.07 109.5 3.04 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.227 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 111.71 -22.65 18.97 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.504 -173.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 561' ' ' LYS . . . . . 0.711 ' HG3' ' HA ' ' A' ' 558' ' ' LEU . 50.6 mmtt -76.72 -36.55 57.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.398 0.618 . . . . 0.0 109.496 176.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 562' ' ' ILE . . . . . 0.784 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.5 tt -105.68 156.68 6.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.57 178.16 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 563' ' ' SER . . . . . 0.459 ' N ' HG12 ' A' ' 562' ' ' ILE . 21.2 m -78.24 149.1 33.67 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.179 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 564' ' ' GLU . . . . . 0.438 ' H ' ' HG3' ' A' ' 564' ' ' GLU . 0.0 OUTLIER -53.57 -45.25 69.87 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -175.572 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.95 98.45 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.221 -178.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 566' ' ' ASP . . . . . 0.588 ' HB3' ' HB ' ' A' ' 606' ' ' ILE . 13.8 m-20 -66.21 -45.01 82.25 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.506 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 71.2 tttt -54.68 -47.98 72.96 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.606 174.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -64.69 -49.15 72.07 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.08 -178.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 569' ' ' LYS . . . . . 0.561 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 12.5 ptmt -59.2 -45.18 91.74 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 120.797 0.332 . . . . 0.0 110.567 -174.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 570' ' ' VAL . . . . . 0.847 HG11 HG11 ' A' ' 553' ' ' VAL . 12.6 p -69.93 -42.78 79.79 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.901 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.839 -178.14 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 571' ' ' LEU . . . . . 0.665 HD23 ' HG3' ' A' ' 550' ' ' LYS . 37.6 mt -59.86 -46.73 88.38 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.848 0.356 . . . . 0.0 110.481 178.132 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 572' ' ' ASP . . . . . 0.57 ' O ' ' HG3' ' A' ' 576' ' ' GLU . 33.9 t70 -61.47 -48.66 80.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.373 -178.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 573' ' ' LYS . . . . . 0.658 ' O ' HG12 ' A' ' 577' ' ' VAL . 46.1 tptt -63.07 -41.37 99.41 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.728 178.475 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 574' ' ' CYS . . . . . 0.526 ' SG ' HD21 ' A' ' 599' ' ' LEU . 92.3 m -62.98 -38.91 93.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.94 0.4 . . . . 0.0 110.699 178.552 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 575' ' ' GLN . . . . . 0.443 ' HG2' ' HE3' ' A' ' 550' ' ' LYS . 2.3 mm100 -66.35 -41.72 89.13 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.873 176.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 576' ' ' GLU . . . . . 0.57 ' HG3' ' O ' ' A' ' 572' ' ' ASP . 61.2 mt-10 -59.75 -50.64 73.02 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 123.448 0.468 . . . . 0.0 110.695 178.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 577' ' ' VAL . . . . . 0.658 HG12 ' O ' ' A' ' 573' ' ' LYS . 2.4 p -66.59 -37.86 80.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.427 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 578' ' ' ILE . . . . . 0.898 ' HA ' HD12 ' A' ' 581' ' ' LEU . 13.3 mt -65.47 -39.58 85.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 122.249 -0.282 . . . . 0.0 111.272 178.689 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 24.7 p -71.6 -26.46 62.6 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 121.185 0.517 . . . . 0.0 110.446 174.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 580' ' ' TRP . . . . . 0.539 ' CE2' ' HE2' ' A' ' 595' ' ' LYS . 63.9 t90 -68.42 -40.83 81.09 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 175.213 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 581' ' ' LEU . . . . . 0.984 HD13 ' HG3' ' A' ' 543' ' ' GLU . 15.3 mt -60.59 -49.28 78.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.817 -1.083 . . . . 0.0 112.013 179.294 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -61.0 -21.51 63.64 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.493 0.663 . . . . 0.0 110.485 178.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -94.66 -3.77 48.84 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.902 -177.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 584' ' ' ASN . . . . . 0.672 ' OD1' ' HA ' ' A' ' 581' ' ' LEU . 12.9 p-10 -144.58 51.06 1.27 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.672 0.748 . . . . 0.0 111.549 -176.222 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 15.3 p -62.97 -15.25 55.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.812 -0.555 . . . . 0.0 111.652 -177.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -113.74 7.41 17.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.393 -178.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 587' ' ' ALA . . . . . 0.551 ' HB2' ' HB2' ' A' ' 584' ' ' ASN . . . -49.69 153.39 1.23 Allowed 'General case' 0 C--O 1.236 0.346 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -177.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -58.21 144.78 39.61 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 172.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 589' ' ' LYS . . . . . 0.404 ' H ' ' HG2' ' A' ' 589' ' ' LYS . 28.5 pttt -61.77 -36.0 79.77 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.006 -175.592 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 590' ' ' ASP . . . . . 0.405 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 2.8 m-20 -62.97 -24.94 68.13 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.468 176.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 591' ' ' GLU . . . . . 0.55 ' HA ' ' OE1' ' A' ' 591' ' ' GLU . 0.5 OUTLIER -65.16 -44.45 88.49 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 120.319 -0.552 . . . . 0.0 110.456 177.925 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 592' ' ' PHE . . . . . 0.639 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 65.9 m-85 -66.47 -32.5 73.91 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.555 177.199 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 593' ' ' GLU . . . . . 0.546 ' O ' ' HG2' ' A' ' 597' ' ' LYS . 50.1 mm-40 -66.28 -48.92 68.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.893 176.17 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 594' ' ' HIS . . . . . 0.446 ' O ' ' HG3' ' A' ' 598' ' ' GLU . 24.6 m170 -63.54 -47.62 80.86 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 121.134 0.492 . . . . 0.0 109.824 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 595' ' ' LYS . . . . . 0.539 ' HE2' ' CE2' ' A' ' 580' ' ' TRP . 0.2 OUTLIER -61.29 -34.43 75.2 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.198 -177.579 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 596' ' ' ARG . . . . . 0.497 ' HB2' ' O ' ' A' ' 592' ' ' PHE . 10.5 ttm180 -62.43 -39.97 95.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.688 177.301 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 597' ' ' LYS . . . . . 0.586 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 22.0 mmtp -66.5 -40.82 89.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.769 177.203 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 598' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 594' ' ' HIS . 51.0 mt-10 -60.36 -55.16 37.0 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.889 0.852 . . . . 0.0 110.843 177.516 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.667 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.5 tm? -58.26 -41.62 84.69 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.573 -1.194 . . . . 0.0 109.384 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 600' ' ' GLU . . . . . 0.619 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 27.3 tt0 -58.2 -41.17 83.39 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.083 178.456 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 601' ' ' GLN . . . . . 0.586 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 85.9 mt-30 -69.31 -27.56 65.49 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -179.421 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 602' ' ' VAL . . . . . 0.667 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.3 p -75.06 -39.02 43.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 C-N-CA 120.164 -0.614 . . . . 0.0 110.353 177.39 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 603' ' ' CYS . . . . . 0.657 ' HB2' HD13 ' A' ' 607' ' ' ILE . 25.0 p -82.57 -25.97 32.81 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.3 -178.527 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 604' ' ' ASN . . . . . 0.629 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 49.7 t30 -50.27 -54.47 33.81 Favored Pre-proline 0 CA--C 1.539 0.536 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -174.738 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 605' ' ' PRO . . . . . 0.629 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 45.9 Cg_exo -61.23 -21.71 72.51 Favored 'Trans proline' 0 C--N 1.359 1.121 0 C-N-CA 122.043 1.829 . . . . 0.0 112.361 -178.649 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 606' ' ' ILE . . . . . 0.784 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -90.0 -39.68 12.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.103 -178.561 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 607' ' ' ILE . . . . . 0.657 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.2 mp -64.59 -24.55 35.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.283 -178.319 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 16.6 m -55.67 -28.47 55.68 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.796 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -118.14 23.24 9.33 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.514 -0.85 . . . . 0.0 112.741 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 610' ' ' LEU . . . . . 0.697 HD21 ' HB ' ' A' ' 562' ' ' ILE . 50.0 mt . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.515 -0.755 . . . . 0.0 110.458 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 28.2 m . . . . . 0 N--CA 1.478 0.926 0 CA-C-O 120.769 0.318 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.667 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . -60.25 -42.39 95.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.906 -175.5 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 539' ' ' LYS . . . . . 0.592 ' HE2' ' HB3' ' A' ' 581' ' ' LEU . 13.3 tmtt? -61.06 -46.93 88.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.116 0.484 . . . . 0.0 110.154 178.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -63.72 -45.47 89.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.635 -179.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -63.16 -42.51 99.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.83 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.749 HD12 HG21 ' A' ' 577' ' ' VAL . 0.5 OUTLIER -61.92 -47.23 85.85 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.456 -178.478 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 543' ' ' GLU . . . . . 0.497 ' HG3' HD13 ' A' ' 581' ' ' LEU . 3.3 tt0 -63.22 -49.17 75.24 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.189 -179.339 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 42.9 m -62.74 -33.1 74.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.042 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 545' ' ' TYR . . . . . 0.568 ' CD1' HD12 ' A' ' 599' ' ' LEU . 3.0 t80 -67.77 -49.76 60.76 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 178.04 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -66.1 -43.27 87.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.603 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -57.29 -41.12 79.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.572 175.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -63.69 -49.48 72.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.572 -178.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 549' ' ' MET . . . . . 0.457 ' HG2' ' O ' ' A' ' 545' ' ' TYR . 18.3 mmt -65.49 -43.66 89.53 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.343 0.592 . . . . 0.0 110.211 -178.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 550' ' ' LYS . . . . . 0.595 ' HG3' HD23 ' A' ' 571' ' ' LEU . 3.5 ttmm -57.88 -47.62 82.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.167 177.294 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 21.7 t -66.37 -37.33 85.05 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.9 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -63.27 -45.91 89.3 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -177.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 553' ' ' VAL . . . . . 0.839 HG11 HG11 ' A' ' 570' ' ' VAL . 34.4 m -76.69 -35.19 24.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.307 0.575 . . . . 0.0 111.308 -178.483 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 554' ' ' GLU . . . . . 0.61 ' HA ' ' HE3' ' A' ' 567' ' ' LYS . 0.2 OUTLIER -85.63 3.32 41.39 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.844 -179.723 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 555' ' ' ASP . . . . . 0.643 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 17.0 t70 -69.74 133.43 47.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.018 176.488 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 556' ' ' GLU . . . . . 0.908 ' HA ' ' HE3' ' A' ' 559' ' ' LYS . 40.9 mt-10 -70.51 -9.5 56.8 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.493 -175.544 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -100.52 -32.72 5.35 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.558 -0.829 . . . . 0.0 111.188 176.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 1.018 HD23 ' HD2' ' A' ' 561' ' ' LYS . 4.1 mt -83.23 -15.27 51.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.497 -0.351 . . . . 0.0 111.664 179.54 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 559' ' ' LYS . . . . . 0.908 ' HE3' ' HA ' ' A' ' 556' ' ' GLU . 19.4 ptpt -61.06 128.32 35.85 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 172.306 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 103.29 -31.36 8.81 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.406 -0.902 . . . . 0.0 111.334 -173.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 561' ' ' LYS . . . . . 1.018 ' HD2' HD23 ' A' ' 558' ' ' LEU . 84.3 mttt -74.49 -36.09 63.26 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 173.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 562' ' ' ILE . . . . . 0.84 ' HB ' HD21 ' A' ' 610' ' ' LEU . 5.6 tt -107.76 153.68 9.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.226 175.595 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 20.0 m -82.36 149.92 27.45 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 176.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -54.53 -43.74 72.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.516 0.198 . . . . 0.0 111.202 -175.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -57.62 -43.31 84.68 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.588 -178.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 566' ' ' ASP . . . . . 0.545 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 14.1 m-20 -67.4 -46.13 74.15 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.128 0.489 . . . . 0.0 109.846 178.448 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.626 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 77.0 tttt -54.84 -48.01 73.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.852 175.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -65.18 -44.8 87.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.762 -178.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 569' ' ' LYS . . . . . 0.545 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 4.8 ptmt -65.72 -43.18 89.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.361 -175.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 570' ' ' VAL . . . . . 0.839 HG11 HG11 ' A' ' 553' ' ' VAL . 12.1 p -69.85 -39.88 78.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.131 -179.291 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 571' ' ' LEU . . . . . 0.595 HD23 ' HG3' ' A' ' 550' ' ' LYS . 32.7 mt -61.24 -47.31 86.66 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.832 0.348 . . . . 0.0 110.661 178.008 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -63.07 -42.84 99.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.929 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 573' ' ' LYS . . . . . 0.597 ' CG ' HG11 ' A' ' 602' ' ' VAL . 50.7 tptt -66.07 -42.43 89.42 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.955 177.218 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 574' ' ' CYS . . . . . 0.483 ' SG ' HD21 ' A' ' 599' ' ' LEU . 94.9 m -61.14 -38.83 87.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.161 0.505 . . . . 0.0 110.376 176.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.49 -36.36 82.55 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.808 176.232 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.39 -56.89 16.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.339 177.129 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 577' ' ' VAL . . . . . 0.749 HG21 HD12 ' A' ' 542' ' ' LEU . 1.4 p -65.27 -41.18 90.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.5 -178.578 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 578' ' ' ILE . . . . . 0.989 ' HA ' HD12 ' A' ' 581' ' ' LEU . 17.5 mt -61.13 -44.1 97.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.65 0.262 . . . . 0.0 111.357 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 20.3 m -68.7 -31.3 70.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.066 0.46 . . . . 0.0 110.131 176.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 580' ' ' TRP . . . . . 0.623 ' CZ2' ' HG3' ' A' ' 591' ' ' GLU . 67.8 t90 -72.18 -36.49 69.27 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.96 179.067 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 581' ' ' LEU . . . . . 0.989 HD12 ' HA ' ' A' ' 578' ' ' ILE . 35.9 mt -58.5 -44.16 89.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.718 0.77 . . . . 0.0 110.339 176.33 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -71.61 -21.33 61.86 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.829 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -96.45 -32.95 12.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 112.124 -176.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 584' ' ' ASN . . . . . 0.488 ' HB3' ' HB2' ' A' ' 587' ' ' ALA . 3.1 m-20 -118.68 47.47 1.63 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.326 0.584 . . . . 0.0 109.528 178.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 585' ' ' THR . . . . . 0.562 HG23 ' HE3' ' A' ' 539' ' ' LYS . 0.2 OUTLIER -61.74 -20.67 63.78 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.204 179.015 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 586' ' ' LEU . . . . . 0.429 HD22 ' N ' ' A' ' 586' ' ' LEU . 2.4 mm? -98.7 6.8 46.73 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.786 -177.287 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 587' ' ' ALA . . . . . 0.488 ' HB2' ' HB3' ' A' ' 584' ' ' ASN . . . -56.9 158.57 4.72 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.997 177.325 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -76.33 160.75 29.32 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.767 177.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.29 -44.24 83.89 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.921 0.391 . . . . 0.0 111.344 -175.303 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 590' ' ' ASP . . . . . 0.437 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 5.9 p-10 -64.78 -24.98 67.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.791 179.731 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 591' ' ' GLU . . . . . 0.623 ' HG3' ' CZ2' ' A' ' 580' ' ' TRP . 5.8 tp10 -62.79 -49.33 75.37 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 176.092 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 592' ' ' PHE . . . . . 0.667 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 94.5 m-85 -63.99 -40.82 97.22 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.088 177.219 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 593' ' ' GLU . . . . . 0.551 ' O ' ' HG2' ' A' ' 597' ' ' LYS . 5.9 mm-40 -59.65 -38.5 81.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.4 -178.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 28.4 m80 -65.88 -38.36 88.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.876 0.37 . . . . 0.0 110.308 174.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 595' ' ' LYS . . . . . 0.444 ' HD3' ' HA ' ' A' ' 595' ' ' LYS . 5.7 tppt? -66.6 -36.43 82.59 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.119 178.104 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 596' ' ' ARG . . . . . 0.7 ' HB2' HD21 ' A' ' 542' ' ' LEU . 41.1 ttp85 -60.49 -37.32 80.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.596 177.085 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 597' ' ' LYS . . . . . 0.593 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 28.7 mmtp -69.51 -43.65 72.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.356 176.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -59.73 -53.11 61.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.213 0.53 . . . . 0.0 111.325 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.721 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.2 tm? -59.94 -42.34 93.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.374 -179.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 600' ' ' GLU . . . . . 0.577 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 38.4 tt0 -57.47 -45.91 84.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.082 176.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 601' ' ' GLN . . . . . 0.593 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 77.7 mt-30 -63.7 -29.39 70.62 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 602' ' ' VAL . . . . . 0.721 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.4 p -76.33 -39.6 34.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.521 178.551 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 603' ' ' CYS . . . . . 0.647 ' HB2' HD13 ' A' ' 607' ' ' ILE . 25.4 p -83.31 -26.73 30.34 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.657 -177.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 604' ' ' ASN . . . . . 0.587 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 18.7 t30 -49.68 -53.52 40.76 Favored Pre-proline 0 CA--C 1.541 0.61 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -176.652 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 605' ' ' PRO . . . . . 0.587 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 53.1 Cg_exo -59.49 -24.7 75.97 Favored 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 122.085 1.856 . . . . 0.0 112.035 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 606' ' ' ILE . . . . . 0.714 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -89.74 -40.62 13.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.119 -177.753 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 607' ' ' ILE . . . . . 0.647 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -67.19 -29.83 47.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.483 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 50.1 m -62.94 -23.48 67.41 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.858 176.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -101.81 -9.19 43.72 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.911 -0.661 . . . . 0.0 111.984 177.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 610' ' ' LEU . . . . . 0.84 HD21 ' HB ' ' A' ' 562' ' ' ILE . 78.9 mt . . . . . 0 C--O 1.246 0.871 0 CA-C-O 118.477 -0.773 . . . . 0.0 110.216 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 4.3 p . . . . . 0 N--CA 1.476 0.847 0 CA-C-O 121.078 0.466 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.435 ' O ' ' HB2' ' A' ' 542' ' ' LEU . . . -70.84 -27.97 64.24 Favored 'General case' 0 C--O 1.226 -0.144 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.006 -178.5 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -66.18 -45.44 80.85 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 177.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -64.47 -46.72 81.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.17 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -58.0 -48.79 78.95 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.994 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.766 HD21 ' HB2' ' A' ' 596' ' ' ARG . 0.5 OUTLIER -61.28 -47.56 85.44 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.641 -177.698 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 543' ' ' GLU . . . . . 0.502 ' CB ' HD13 ' A' ' 581' ' ' LEU . 8.9 tt0 -68.33 -45.93 71.58 Favored 'General case' 0 N--CA 1.439 -1.017 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.475 -176.278 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 18.9 t -65.54 -36.96 85.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.122 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 545' ' ' TYR . . . . . 0.526 ' CD1' HD12 ' A' ' 599' ' ' LEU . 1.4 t80 -61.76 -49.45 76.35 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 176.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.74 -40.42 92.12 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.639 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -59.11 -44.39 91.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.206 173.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 61.8 m-20 -61.7 -47.32 85.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.886 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 549' ' ' MET . . . . . . . . . . . . . 28.1 mmt -64.77 -43.77 92.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.373 0.606 . . . . 0.0 110.403 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 550' ' ' LYS . . . . . 0.787 ' HG3' HD23 ' A' ' 571' ' ' LEU . 4.7 ttmm -59.64 -45.53 91.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.935 -1.03 . . . . 0.0 110.844 176.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 58.0 m -66.81 -34.98 79.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.684 177.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -65.74 -45.82 81.19 Favored 'General case' 0 C--O 1.224 -0.289 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -176.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 553' ' ' VAL . . . . . 0.776 HG11 HG11 ' A' ' 570' ' ' VAL . 26.4 m -75.03 -34.61 32.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.618 0.723 . . . . 0.0 111.186 -179.15 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 554' ' ' GLU . . . . . 0.507 ' HB2' ' O ' ' A' ' 550' ' ' LYS . 1.6 mm-40 -86.54 3.53 43.82 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.363 178.662 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 555' ' ' ASP . . . . . 0.449 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 28.8 t70 -68.53 141.87 55.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.772 178.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -69.77 -12.93 62.01 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -176.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 557' ' ' GLY . . . . . 0.531 ' O ' ' HE3' ' A' ' 561' ' ' LYS . . . -100.91 -28.23 7.04 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.505 -0.855 . . . . 0.0 111.686 178.042 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.97 HD23 ' HD2' ' A' ' 561' ' ' LYS . 10.4 mt -98.27 -6.09 31.77 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 111.609 0.226 . . . . 0.0 111.609 -179.037 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -56.92 -37.53 71.6 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -177.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . -93.81 -6.61 62.0 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.034 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 561' ' ' LYS . . . . . 0.97 ' HD2' HD23 ' A' ' 558' ' ' LEU . 85.1 mttt -81.92 -34.6 29.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.108 0.48 . . . . 0.0 110.529 -178.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 562' ' ' ILE . . . . . 0.859 ' HB ' HD21 ' A' ' 610' ' ' LEU . 5.5 tt -106.92 153.57 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.604 -177.44 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 563' ' ' SER . . . . . 0.46 ' HB3' ' OD2' ' A' ' 566' ' ' ASP . 32.9 t -82.17 155.13 25.13 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.169 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 564' ' ' GLU . . . . . 0.436 ' HB3' ' HE3' ' A' ' 568' ' ' LYS . 29.9 mt-10 -54.88 -48.16 73.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.611 0.243 . . . . 0.0 111.065 -175.121 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -57.74 -42.54 84.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.246 -176.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 566' ' ' ASP . . . . . 0.498 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 21.5 m-20 -67.22 -49.73 63.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.33 0.586 . . . . 0.0 109.78 179.193 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.614 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 81.2 tttt -53.93 -47.78 70.87 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.758 -1.11 . . . . 0.0 111.228 176.59 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 568' ' ' LYS . . . . . 0.436 ' HE3' ' HB3' ' A' ' 564' ' ' GLU . 94.9 mttt -63.46 -47.18 82.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.577 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 569' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 0.0 OUTLIER -64.28 -41.76 96.74 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.3 -173.475 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 570' ' ' VAL . . . . . 0.776 HG11 HG11 ' A' ' 553' ' ' VAL . 12.6 p -70.95 -42.15 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.307 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 571' ' ' LEU . . . . . 0.787 HD23 ' HG3' ' A' ' 550' ' ' LYS . 20.0 mt -59.01 -49.43 77.91 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.266 0.555 . . . . 0.0 110.228 177.395 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -61.31 -45.1 95.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.329 -178.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 573' ' ' LYS . . . . . 0.589 ' CG ' HG11 ' A' ' 602' ' ' VAL . 47.5 tptt -64.75 -42.23 95.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.851 177.436 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 574' ' ' CYS . . . . . 0.423 ' SG ' HD21 ' A' ' 599' ' ' LEU . 99.2 m -59.86 -38.53 82.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.567 177.494 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -66.78 -38.74 87.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.116 177.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -59.32 -53.89 53.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.792 0.33 . . . . 0.0 110.917 178.214 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 577' ' ' VAL . . . . . 0.632 HG21 HD12 ' A' ' 542' ' ' LEU . 1.5 p -64.05 -40.66 89.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.996 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 578' ' ' ILE . . . . . 0.936 ' HA ' HD12 ' A' ' 581' ' ' LEU . 19.7 mt -62.74 -43.92 99.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-O 120.772 0.32 . . . . 0.0 111.692 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 15.8 t -69.56 -25.1 63.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.157 0.503 . . . . 0.0 110.204 176.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 580' ' ' TRP . . . . . 0.54 ' CH2' ' ND2' ' A' ' 584' ' ' ASN . 85.3 t90 -75.05 -37.05 61.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.817 -0.628 . . . . 0.0 109.668 176.556 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 581' ' ' LEU . . . . . 0.936 HD12 ' HA ' ' A' ' 578' ' ' ILE . 37.4 mt -61.18 -42.19 98.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.366 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -63.91 -33.97 76.91 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.349 0.595 . . . . 0.0 109.885 175.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -81.07 -33.7 33.23 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.263 -0.881 . . . . 0.0 112.452 -173.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 584' ' ' ASN . . . . . 0.557 ' OD1' ' HA ' ' A' ' 581' ' ' LEU . 9.6 p-10 -98.28 43.65 1.06 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.435 0.636 . . . . 0.0 111.177 -176.343 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.67 -12.1 14.72 Favored 'General case' 0 C--N 1.315 -0.898 0 O-C-N 122.011 -0.43 . . . . 0.0 111.976 -174.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -109.6 5.65 23.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.368 -179.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 587' ' ' ALA . . . . . 0.421 ' HB2' ' HB2' ' A' ' 584' ' ' ASN . . . -66.61 155.96 36.42 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.369 0.604 . . . . 0.0 110.967 179.616 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -99.47 176.17 5.59 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.985 175.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -55.51 -45.18 77.11 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -169.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 590' ' ' ASP . . . . . 0.662 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 10.1 p-10 -66.39 -24.96 66.57 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -175.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -63.93 -48.98 74.42 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.215 0.531 . . . . 0.0 109.727 172.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 592' ' ' PHE . . . . . 0.453 ' O ' HD21 ' A' ' 542' ' ' LEU . 88.2 m-85 -64.23 -41.84 96.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.748 176.348 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 593' ' ' GLU . . . . . 0.662 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 38.2 mm-40 -59.38 -42.79 92.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.294 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -59.53 -43.43 93.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.046 0.451 . . . . 0.0 110.283 174.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 595' ' ' LYS . . . . . 0.73 ' HE2' ' OE1' ' A' ' 598' ' ' GLU . 0.1 OUTLIER -68.76 -36.56 78.5 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.241 -176.437 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 596' ' ' ARG . . . . . 0.766 ' HB2' HD21 ' A' ' 542' ' ' LEU . 49.8 ttp85 -57.25 -44.82 84.21 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.33 177.262 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 597' ' ' LYS . . . . . 0.66 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 22.6 mmmt -60.19 -43.42 95.92 Favored 'General case' 0 CA--C 1.523 -0.089 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.906 178.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 598' ' ' GLU . . . . . 0.73 ' OE1' ' HE2' ' A' ' 595' ' ' LYS . 51.8 mt-10 -59.31 -55.62 32.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.867 179.248 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.679 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.0 tm? -59.26 -42.51 91.31 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.788 -1.096 . . . . 0.0 109.714 -177.642 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 600' ' ' GLU . . . . . 0.578 ' HG3' ' O ' ' A' ' 596' ' ' ARG . 44.2 mt-10 -56.14 -45.27 79.65 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 116.775 -0.193 . . . . 0.0 110.509 175.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 601' ' ' GLN . . . . . 0.66 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 50.2 mt-30 -65.8 -29.48 69.97 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -177.523 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 602' ' ' VAL . . . . . 0.679 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.7 p -76.01 -39.14 36.55 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.574 178.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 603' ' ' CYS . . . . . 0.69 ' HB2' HD13 ' A' ' 607' ' ' ILE . 22.1 p -82.53 -26.51 32.41 Favored 'General case' 0 C--O 1.219 -0.515 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.454 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 604' ' ' ASN . . . . . 0.609 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 26.7 t30 -50.11 -54.06 37.27 Favored Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -176.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 605' ' ' PRO . . . . . 0.609 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 44.2 Cg_exo -60.75 -22.31 72.89 Favored 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 122.301 2.001 . . . . 0.0 112.365 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 606' ' ' ILE . . . . . 0.786 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -91.19 -40.35 12.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.14 -178.688 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 607' ' ' ILE . . . . . 0.69 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.2 mp -65.65 -30.01 48.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.178 -178.043 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 6.7 p -66.67 -16.89 64.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.815 0.34 . . . . 0.0 111.025 177.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -113.53 11.14 23.7 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.21 178.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 610' ' ' LEU . . . . . 0.859 HD21 ' HB ' ' A' ' 562' ' ' ILE . 48.1 mt . . . . . 0 C--O 1.251 1.151 0 CA-C-O 118.621 -0.704 . . . . 0.0 110.605 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 27.5 m . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 120.67 0.272 . . . . 0.0 110.622 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.537 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . -60.73 -38.77 86.25 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.117 -179.126 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 539' ' ' LYS . . . . . 0.536 ' NZ ' ' HB3' ' A' ' 581' ' ' LEU . 3.7 tmtm? -56.5 -47.54 79.06 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -65.61 -47.55 75.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.261 -177.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 541' ' ' ALA . . . . . 0.478 ' O ' ' HB2' ' A' ' 545' ' ' TYR . . . -64.57 -40.7 96.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.986 0.422 . . . . 0.0 110.587 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.914 HD12 HD21 ' A' ' 581' ' ' LEU . 2.8 tm? -65.37 -48.16 73.89 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.398 -177.25 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 543' ' ' GLU . . . . . 0.809 ' HG3' HD13 ' A' ' 581' ' ' LEU . 21.5 tt0 -68.86 -47.86 64.88 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 120.577 0.227 . . . . 0.0 110.795 -176.318 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 544' ' ' SER . . . . . 0.498 ' O ' ' HB2' ' A' ' 548' ' ' ASN . 21.5 m -62.73 -29.39 70.64 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.284 178.596 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 545' ' ' TYR . . . . . 0.499 ' CD1' HD12 ' A' ' 599' ' ' LEU . 2.4 t80 -61.76 -49.7 75.36 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.371 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -66.09 -43.06 88.39 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.363 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 547' ' ' PHE . . . . . 0.462 ' HB2' ' HA ' ' A' ' 544' ' ' SER . 3.9 m-85 -56.64 -39.09 73.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.81 175.185 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 548' ' ' ASN . . . . . 0.498 ' HB2' ' O ' ' A' ' 544' ' ' SER . 2.5 t-20 -67.41 -49.05 65.47 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.094 -175.648 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 549' ' ' MET . . . . . 0.412 ' HE3' ' HB3' ' A' ' 548' ' ' ASN . 22.1 mmt -65.51 -42.84 91.63 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.431 0.634 . . . . 0.0 109.974 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 550' ' ' LYS . . . . . 0.56 ' HG3' HD23 ' A' ' 571' ' ' LEU . 2.3 ttmm -58.35 -46.54 86.06 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.816 -1.084 . . . . 0.0 111.062 176.179 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 20.0 t -65.83 -36.18 82.75 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.031 178.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -64.17 -45.94 86.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.733 -177.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 553' ' ' VAL . . . . . 0.749 HG11 HG11 ' A' ' 570' ' ' VAL . 34.1 m -76.88 -35.27 23.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.147 0.499 . . . . 0.0 111.449 -178.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 554' ' ' GLU . . . . . 0.62 ' HG2' HD11 ' A' ' 571' ' ' LEU . 0.9 OUTLIER -85.64 3.98 38.45 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.05 179.626 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 555' ' ' ASP . . . . . 0.6 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 13.0 t70 -64.67 136.05 56.56 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 172.125 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 556' ' ' GLU . . . . . 0.677 ' HA ' ' HE3' ' A' ' 559' ' ' LYS . 1.8 pm0 -69.57 -12.0 61.29 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -172.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -101.49 -35.26 4.16 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 119.977 -1.106 . . . . 0.0 111.04 177.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.801 ' HA ' ' HG3' ' A' ' 561' ' ' LYS . 29.3 mt -78.37 -17.19 56.83 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.534 -0.333 . . . . 0.0 111.479 179.27 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 559' ' ' LYS . . . . . 0.677 ' HE3' ' HA ' ' A' ' 556' ' ' GLU . 22.2 pttp -71.92 98.62 2.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.875 0.845 . . . . 0.0 109.533 173.295 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 127.93 -29.59 4.13 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 110.075 -1.21 . . . . 0.0 110.075 -170.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 561' ' ' LYS . . . . . 0.801 ' HG3' ' HA ' ' A' ' 558' ' ' LEU . 28.5 mmtm -73.99 -37.32 64.47 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 171.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 562' ' ' ILE . . . . . 0.776 ' HB ' HD21 ' A' ' 610' ' ' LEU . 5.5 tt -105.64 152.15 7.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 114.414 -1.267 . . . . 0.0 109.342 177.256 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 563' ' ' SER . . . . . 0.417 ' HB3' ' OD1' ' A' ' 566' ' ' ASP . 32.8 t -71.25 147.63 48.02 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 177.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -58.67 -35.63 72.88 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.249 -177.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -60.59 -43.33 97.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.564 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 566' ' ' ASP . . . . . 0.627 ' HB3' ' HB ' ' A' ' 606' ' ' ILE . 7.9 m-20 -70.0 -44.98 68.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.08 0.466 . . . . 0.0 109.958 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.608 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 52.7 tttm -54.67 -47.87 73.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.958 174.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -65.6 -49.13 69.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.862 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 569' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 18.5 ptmt -61.62 -43.3 99.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.395 -174.562 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 570' ' ' VAL . . . . . 0.749 HG11 HG11 ' A' ' 553' ' ' VAL . 11.6 p -70.73 -40.34 76.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.886 -179.093 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 571' ' ' LEU . . . . . 0.62 HD11 ' HG2' ' A' ' 554' ' ' GLU . 35.5 mt -60.68 -47.36 86.59 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.744 0.306 . . . . 0.0 110.431 177.354 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -59.57 -47.26 86.26 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.414 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 573' ' ' LYS . . . . . 0.662 ' O ' HG12 ' A' ' 577' ' ' VAL . 49.6 tptt -64.62 -41.61 96.07 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.83 178.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 574' ' ' CYS . . . . . 0.533 ' SG ' HD21 ' A' ' 599' ' ' LEU . 97.5 m -61.34 -38.41 86.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.905 0.383 . . . . 0.0 110.452 177.573 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -66.8 -36.88 83.42 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.037 175.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 576' ' ' GLU . . . . . 0.406 ' HB3' ' O ' ' A' ' 573' ' ' LYS . 0.1 OUTLIER -58.54 -55.28 37.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.954 0.406 . . . . 0.0 110.254 176.305 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 577' ' ' VAL . . . . . 0.662 HG12 ' O ' ' A' ' 573' ' ' LYS . 1.3 p -66.21 -41.85 89.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.741 -178.583 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 578' ' ' ILE . . . . . 0.914 ' HA ' HD12 ' A' ' 581' ' ' LEU . 21.0 mt -63.2 -40.19 88.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 111.525 0.194 . . . . 0.0 111.525 -179.279 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 56.3 m -70.38 -30.81 67.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 110.557 175.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 51.3 t90 -68.7 -37.81 79.82 Favored 'General case' 0 C--O 1.222 -0.385 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 581' ' ' LEU . . . . . 0.914 HD12 ' HA ' ' A' ' 578' ' ' ILE . 16.1 mt -59.53 -48.04 83.2 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.225 176.663 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -64.87 -34.22 77.86 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.455 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -82.03 -31.42 30.98 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.598 -178.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 584' ' ' ASN . . . . . 0.501 ' HB3' ' HB2' ' A' ' 587' ' ' ALA . 5.2 m-20 -119.62 52.97 1.07 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.363 -176.58 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 1.3 p -67.28 -19.83 65.55 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.656 0.741 . . . . 0.0 110.773 173.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -90.13 5.18 47.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.752 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 587' ' ' ALA . . . . . 0.501 ' HB2' ' HB3' ' A' ' 584' ' ' ASN . . . -67.16 151.48 47.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.333 177.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -86.62 171.29 11.11 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.018 177.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 52.7 pttt -54.8 -45.08 74.32 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -171.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 590' ' ' ASP . . . . . 0.446 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 3.2 m-20 -61.34 -29.4 69.87 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.329 -177.063 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 591' ' ' GLU . . . . . 0.544 ' HA ' ' OE1' ' A' ' 591' ' ' GLU . 2.9 mm-40 -64.4 -44.46 91.21 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 120.584 -0.447 . . . . 0.0 110.596 178.376 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 592' ' ' PHE . . . . . 0.537 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 78.9 m-85 -65.17 -38.94 92.15 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.399 176.488 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 593' ' ' GLU . . . . . 0.499 ' O ' ' HG2' ' A' ' 597' ' ' LYS . 21.0 mm-40 -60.44 -44.22 96.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.251 177.576 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -62.88 -48.1 80.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.042 0.449 . . . . 0.0 110.284 178.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 595' ' ' LYS . . . . . 0.442 ' HG2' HG23 ' A' ' 577' ' ' VAL . 12.0 tppt? -63.06 -34.53 77.79 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.428 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 596' ' ' ARG . . . . . 0.525 ' HB2' HD23 ' A' ' 542' ' ' LEU . 41.2 ttp85 -61.78 -36.85 82.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.313 178.631 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 597' ' ' LYS . . . . . 0.503 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 65.6 mmtt -64.87 -43.35 93.26 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.301 0.572 . . . . 0.0 109.647 175.189 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.36 -56.86 16.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.368 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.714 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.5 tm? -58.94 -42.5 89.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.52 -177.634 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 600' ' ' GLU . . . . . 0.544 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 29.1 tt0 -57.58 -44.96 85.74 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.989 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 601' ' ' GLN . . . . . 0.503 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 48.9 mt-30 -68.73 -25.58 64.82 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 602' ' ' VAL . . . . . 0.714 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.5 p -75.58 -39.64 40.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.366 177.529 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 603' ' ' CYS . . . . . 0.614 ' HB2' HD13 ' A' ' 607' ' ' ILE . 15.1 p -82.2 -26.53 33.25 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.304 -178.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 604' ' ' ASN . . . . . 0.526 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 6.7 t30 -50.05 -52.47 52.72 Favored Pre-proline 0 N--CA 1.473 0.675 0 N-CA-C 113.215 0.821 . . . . 0.0 113.215 -175.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 605' ' ' PRO . . . . . 0.526 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 52.0 Cg_exo -59.9 -31.42 93.73 Favored 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 122.018 1.812 . . . . 0.0 112.447 178.22 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 606' ' ' ILE . . . . . 0.774 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -81.35 -40.23 17.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.184 -177.668 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 607' ' ' ILE . . . . . 0.614 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -66.11 -28.76 44.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.077 177.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 47.9 t -63.39 -23.25 67.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.386 175.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -103.34 -1.09 47.42 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.117 178.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 610' ' ' LEU . . . . . 0.776 HD21 ' HB ' ' A' ' 562' ' ' ILE . 72.2 mt . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.453 -0.784 . . . . 0.0 110.554 -178.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 10.6 t . . . . . 0 N--CA 1.477 0.912 0 CA-C-O 120.953 0.406 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.503 ' O ' ' HB2' ' A' ' 542' ' ' LEU . . . -63.87 -17.1 62.84 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.491 -175.213 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 539' ' ' LYS . . . . . 0.718 ' HE3' HG22 ' A' ' 585' ' ' THR . 14.1 tmtt? -62.61 -39.66 94.46 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.59 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -68.23 -47.01 68.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.647 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -63.16 -42.53 99.44 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.72 178.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 538' ' ' ALA . 0.3 OUTLIER -67.12 -47.3 71.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.179 -175.068 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 543' ' ' GLU . . . . . 0.563 ' CB ' HD13 ' A' ' 581' ' ' LEU . 12.9 tt0 -66.83 -40.99 88.18 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.112 -177.279 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 54.9 m -67.06 -31.46 71.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.561 176.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -67.59 -49.46 63.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.005 0.431 . . . . 0.0 109.879 177.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.22 -40.29 93.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.136 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -59.62 -39.04 82.96 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.691 174.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -64.98 -49.11 71.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.691 -178.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 549' ' ' MET . . . . . . . . . . . . . 21.9 mmt -63.36 -43.19 98.39 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-O 121.301 0.572 . . . . 0.0 109.85 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 550' ' ' LYS . . . . . 0.604 ' HG3' HD23 ' A' ' 571' ' ' LEU . 4.4 ttmm -59.79 -47.62 84.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.037 176.319 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 13.0 t -66.15 -36.61 83.58 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -63.5 -45.97 88.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.55 -177.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 553' ' ' VAL . . . . . 0.782 HG11 HG11 ' A' ' 570' ' ' VAL . 35.5 m -76.56 -34.62 24.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.181 0.515 . . . . 0.0 111.326 -178.033 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 554' ' ' GLU . . . . . 0.504 ' HB2' ' O ' ' A' ' 550' ' ' LYS . 0.0 OUTLIER -85.24 3.9 37.26 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.178 179.62 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 555' ' ' ASP . . . . . 0.472 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 20.4 t70 -70.03 142.77 52.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.643 176.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -69.42 -17.75 63.68 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -174.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -98.02 -38.55 4.06 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 119.642 -1.266 . . . . 0.0 111.11 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.986 HD23 ' HD2' ' A' ' 561' ' ' LYS . 16.3 mt -79.03 -12.64 60.03 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.482 -0.359 . . . . 0.0 111.772 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -65.77 -19.71 65.99 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.012 0.434 . . . . 0.0 111.049 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . -101.1 3.42 55.29 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.676 -0.774 . . . . 0.0 111.6 176.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 561' ' ' LYS . . . . . 0.986 ' HD2' HD23 ' A' ' 558' ' ' LEU . 79.5 mttt -104.48 -32.49 8.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.987 0.422 . . . . 0.0 110.838 -178.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 562' ' ' ILE . . . . . 0.784 ' HB ' HD21 ' A' ' 610' ' ' LEU . 5.9 tt -106.91 153.27 8.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.508 -179.237 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 563' ' ' SER . . . . . 0.409 ' N ' HG12 ' A' ' 562' ' ' ILE . 0.3 OUTLIER -75.53 153.86 37.21 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.769 179.36 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -55.46 -46.38 76.8 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 123.31 0.382 . . . . 0.0 110.194 -178.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -59.84 -43.3 94.66 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -177.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 566' ' ' ASP . . . . . 0.646 ' HB3' ' HB ' ' A' ' 606' ' ' ILE . 16.8 m-20 -67.61 -47.41 69.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.282 0.563 . . . . 0.0 109.776 -178.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.602 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 44.4 tttt -54.89 -47.32 74.44 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.373 174.628 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 30.7 tttp -58.63 -51.01 71.74 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.264 -0.88 . . . . 0.0 112.018 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 569' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 0.0 OUTLIER -65.38 -43.92 89.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.801 -172.69 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 570' ' ' VAL . . . . . 0.782 HG11 HG11 ' A' ' 553' ' ' VAL . 12.8 p -70.3 -40.17 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.206 -176.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 571' ' ' LEU . . . . . 0.604 HD23 ' HG3' ' A' ' 550' ' ' LYS . 39.8 mt -60.18 -48.31 82.28 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 110.408 178.085 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 572' ' ' ASP . . . . . 0.477 ' O ' ' HG3' ' A' ' 576' ' ' GLU . 11.4 t70 -61.76 -47.25 86.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.202 -178.349 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 573' ' ' LYS . . . . . 0.68 ' HG2' HG11 ' A' ' 602' ' ' VAL . 39.4 tptt -62.05 -41.82 98.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.551 177.533 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 574' ' ' CYS . . . . . 0.413 ' SG ' HD21 ' A' ' 599' ' ' LEU . 83.6 m -62.35 -38.06 88.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.293 0.568 . . . . 0.0 109.721 178.655 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 575' ' ' GLN . . . . . 0.448 ' HG2' ' HE3' ' A' ' 550' ' ' LYS . 7.4 mm-40 -63.64 -40.66 97.44 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.494 175.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 576' ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' A' ' 572' ' ' ASP . 49.0 mt-10 -58.02 -55.62 32.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.15 0.5 . . . . 0.0 110.262 178.404 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 577' ' ' VAL . . . . . 0.536 HG12 ' O ' ' A' ' 573' ' ' LYS . 1.9 p -67.12 -39.67 83.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.861 -179.309 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 578' ' ' ILE . . . . . 0.921 ' HA ' HD12 ' A' ' 581' ' ' LEU . 12.5 mt -61.88 -42.03 93.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 111.76 0.281 . . . . 0.0 111.76 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 24.6 p -69.75 -29.74 67.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.918 0.39 . . . . 0.0 110.174 177.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 59.2 t90 -70.74 -38.79 73.55 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.663 176.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 581' ' ' LEU . . . . . 0.921 HD12 ' HA ' ' A' ' 578' ' ' ILE . 47.1 mt -57.73 -46.59 84.24 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.936 178.29 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -68.4 -23.22 64.63 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.559 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -90.82 -30.67 16.85 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.433 -176.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 584' ' ' ASN . . . . . 0.455 ' HB3' ' HB2' ' A' ' 587' ' ' ALA . 42.4 m-80 -123.2 58.18 1.12 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.252 0.548 . . . . 0.0 111.021 -178.789 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 585' ' ' THR . . . . . 0.718 HG22 ' HE3' ' A' ' 539' ' ' LYS . 70.5 p -70.03 -17.95 63.28 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.577 0.703 . . . . 0.0 109.64 174.452 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 586' ' ' LEU . . . . . 0.447 HD22 ' N ' ' A' ' 586' ' ' LEU . 1.3 mm? -93.5 5.4 51.71 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 114.834 -1.076 . . . . 0.0 110.372 -176.603 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 587' ' ' ALA . . . . . 0.455 ' HB2' ' HB3' ' A' ' 584' ' ' ASN . . . -66.54 151.97 46.2 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.207 177.315 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -78.63 165.16 23.98 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 176.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 589' ' ' LYS . . . . . 0.406 ' HE3' ' HB2' ' A' ' 589' ' ' LYS . 17.4 ptmt -55.33 -42.7 74.14 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -173.553 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 590' ' ' ASP . . . . . 0.447 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 4.7 p-10 -60.43 -28.33 68.19 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -176.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 591' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 595' ' ' LYS . 3.4 mm-40 -62.8 -42.97 99.94 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 175.072 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -72.46 -38.53 68.23 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.029 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 593' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' A' ' 597' ' ' LYS . 6.5 mm-40 -60.03 -46.73 88.53 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.824 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -69.92 -37.37 75.92 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.421 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 595' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 591' ' ' GLU . 3.0 tppt? -64.27 -35.75 81.86 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.291 0.567 . . . . 0.0 109.625 179.033 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 596' ' ' ARG . . . . . 0.638 ' O ' ' HG3' ' A' ' 600' ' ' GLU . 10.3 ttp85 -57.96 -50.69 72.53 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 114.858 -1.064 . . . . 0.0 109.464 176.371 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 597' ' ' LYS . . . . . 0.652 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 13.0 mmmm -58.23 -41.32 83.89 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.423 178.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -61.11 -53.49 56.37 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.9 0.857 . . . . 0.0 111.144 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.675 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.4 tm? -59.31 -40.57 86.67 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.688 179.205 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 600' ' ' GLU . . . . . 0.638 ' HG3' ' O ' ' A' ' 596' ' ' ARG . 32.5 mt-10 -58.8 -37.15 75.7 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.172 176.063 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 601' ' ' GLN . . . . . 0.652 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 76.3 mt-30 -66.2 -31.83 72.89 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 111.589 0.218 . . . . 0.0 111.589 178.661 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 602' ' ' VAL . . . . . 0.68 HG11 ' HG2' ' A' ' 573' ' ' LYS . 1.5 p -75.45 -40.28 41.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.024 -0.67 . . . . 0.0 111.114 179.292 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 603' ' ' CYS . . . . . 0.765 ' HB2' HD13 ' A' ' 607' ' ' ILE . 25.1 p -83.08 -25.08 32.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.906 -177.381 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 604' ' ' ASN . . . . . 0.626 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 15.9 t30 -48.72 -55.49 19.57 Favored Pre-proline 0 N--CA 1.473 0.705 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -177.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 605' ' ' PRO . . . . . 0.626 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 51.7 Cg_exo -58.51 -25.12 72.82 Favored 'Trans proline' 0 C--N 1.357 1.01 0 C-N-CA 122.032 1.821 . . . . 0.0 112.536 -179.504 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 606' ' ' ILE . . . . . 0.781 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -91.37 -40.38 12.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.562 -175.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 607' ' ' ILE . . . . . 0.765 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.2 mp -68.29 -22.42 27.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 C-N-CA 123.523 0.729 . . . . 0.0 111.971 -176.159 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 13.1 m -56.68 -29.45 62.37 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -113.15 10.73 24.61 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.443 -0.884 . . . . 0.0 112.717 -177.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 610' ' ' LEU . . . . . 0.784 HD21 ' HB ' ' A' ' 562' ' ' ILE . 52.1 mt . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.56 -0.733 . . . . 0.0 110.541 -177.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 120.732 0.301 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.492 ' O ' ' HB2' ' A' ' 542' ' ' LEU . . . -70.1 -28.16 65.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.222 -175.541 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -67.81 -46.89 70.63 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -62.57 -43.24 99.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.539 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -62.73 -44.47 96.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.425 177.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.628 HD21 ' HB2' ' A' ' 596' ' ' ARG . 0.2 OUTLIER -63.56 -47.34 81.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.424 -178.146 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 543' ' ' GLU . . . . . 0.477 ' HG3' HD13 ' A' ' 581' ' ' LEU . 5.4 tt0 -63.61 -49.18 74.33 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.388 -177.299 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 60.5 m -64.71 -32.33 73.96 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.04 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 545' ' ' TYR . . . . . 0.431 ' CD1' HD12 ' A' ' 599' ' ' LEU . 2.0 t80 -66.07 -49.29 68.15 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.235 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -63.14 -44.73 94.71 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 178.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -56.22 -41.47 75.72 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.535 176.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -59.56 -50.23 74.7 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.571 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 549' ' ' MET . . . . . . . . . . . . . 22.0 mmt -66.3 -43.86 85.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.357 0.599 . . . . 0.0 110.176 -178.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 550' ' ' LYS . . . . . 0.596 ' HG3' HD23 ' A' ' 571' ' ' LEU . 4.2 ttmm -59.44 -48.87 79.99 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.882 -1.053 . . . . 0.0 111.416 177.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 6.2 t -66.55 -35.4 80.14 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.867 179.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -64.76 -45.63 85.6 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 553' ' ' VAL . . . . . 0.822 HG11 HG11 ' A' ' 570' ' ' VAL . 29.6 m -74.4 -35.84 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.308 0.575 . . . . 0.0 111.109 -178.317 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 554' ' ' GLU . . . . . 0.721 ' HG2' HD11 ' A' ' 571' ' ' LEU . 3.5 mm-40 -86.4 5.05 36.82 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.827 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 555' ' ' ASP . . . . . 0.563 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 25.9 t70 -68.44 138.53 55.36 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.098 177.714 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 556' ' ' GLU . . . . . 0.441 ' O ' ' HE3' ' A' ' 559' ' ' LYS . 9.5 mm-40 -70.11 -12.3 61.5 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -177.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -101.46 -32.31 5.22 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.219 -0.991 . . . . 0.0 111.073 177.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.563 ' HB2' ' HB3' ' A' ' 555' ' ' ASP . 15.5 mt -87.24 -7.62 57.69 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.709 0.29 . . . . 0.0 111.47 178.527 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 559' ' ' LYS . . . . . 0.441 ' HE3' ' O ' ' A' ' 556' ' ' GLU . 21.5 pttp -65.38 124.12 21.42 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 172.534 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 106.11 -32.72 7.07 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 -172.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 561' ' ' LYS . . . . . 0.554 ' HG3' HD23 ' A' ' 558' ' ' LEU . 30.6 mmtm -69.09 -38.54 79.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.49 0.662 . . . . 0.0 109.322 174.151 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 562' ' ' ILE . . . . . 0.904 ' HB ' HD21 ' A' ' 610' ' ' LEU . 5.7 tt -109.22 150.04 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.724 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.738 178.265 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 19.0 m -82.09 163.27 22.14 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.317 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -58.77 -47.11 85.83 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 -173.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -60.93 -39.58 89.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.797 -175.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 566' ' ' ASP . . . . . 0.551 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 21.9 m-20 -70.45 -45.29 66.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.541 -178.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.577 ' HE2' ' O ' ' A' ' 553' ' ' VAL . 23.3 ttmt -55.91 -47.7 76.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.244 0.545 . . . . 0.0 110.048 174.502 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -62.56 -45.17 94.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.859 -177.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 569' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 18.7 ptmt -65.05 -45.53 84.98 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.533 -176.244 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 570' ' ' VAL . . . . . 0.822 HG11 HG11 ' A' ' 553' ' ' VAL . 12.5 p -70.46 -41.07 78.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.558 -177.033 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 571' ' ' LEU . . . . . 0.721 HD11 ' HG2' ' A' ' 554' ' ' GLU . 48.6 mt -59.88 -46.69 88.5 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.149 0.5 . . . . 0.0 110.197 176.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -63.89 -45.1 90.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.651 -178.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 573' ' ' LYS . . . . . 0.565 ' O ' HG12 ' A' ' 577' ' ' VAL . 48.2 tptt -65.62 -39.32 91.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.778 177.363 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 574' ' ' CYS . . . . . 0.6 ' SG ' HD12 ' A' ' 578' ' ' ILE . 5.5 t -60.42 -41.79 94.68 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.556 0.693 . . . . 0.0 110.066 177.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -61.17 -40.32 93.43 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 114.955 -1.021 . . . . 0.0 111.519 175.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -57.62 -56.26 24.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.969 0.414 . . . . 0.0 110.51 177.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 577' ' ' VAL . . . . . 0.565 HG12 ' O ' ' A' ' 573' ' ' LYS . 0.8 OUTLIER -63.32 -43.33 98.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.404 -179.393 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 578' ' ' ILE . . . . . 0.97 ' HA ' HD12 ' A' ' 581' ' ' LEU . 13.7 mt -61.53 -40.41 86.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.61 0.243 . . . . 0.0 111.438 -178.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 70.1 m -70.89 -30.77 67.23 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.717 176.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -71.49 -37.58 71.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.876 178.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 581' ' ' LEU . . . . . 0.97 HD12 ' HA ' ' A' ' 578' ' ' ILE . 23.4 mt -60.48 -46.63 89.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.74 177.188 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -65.89 -33.1 75.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.227 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -82.74 -31.7 28.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.986 -176.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 584' ' ' ASN . . . . . 0.431 ' HB3' ' HB2' ' A' ' 587' ' ' ALA . 37.8 m-80 -119.19 63.6 0.79 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.258 0.552 . . . . 0.0 111.25 -177.078 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 71.7 p -77.03 -12.3 59.92 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.955 0.883 . . . . 0.0 109.094 174.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 586' ' ' LEU . . . . . 0.485 HD22 ' N ' ' A' ' 586' ' ' LEU . 1.7 mm? -93.54 5.48 51.44 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 114.255 -1.339 . . . . 0.0 110.141 -179.372 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 587' ' ' ALA . . . . . 0.431 ' HB2' ' HB3' ' A' ' 584' ' ' ASN . . . -72.28 160.6 32.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.284 178.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -91.05 171.14 9.47 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.66 176.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 21.3 pttm -54.36 -44.7 72.41 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.285 0.564 . . . . 0.0 111.75 -173.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 590' ' ' ASP . . . . . 0.431 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 6.6 m-20 -65.56 -30.44 71.18 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.351 -174.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 591' ' ' GLU . . . . . 0.416 ' HB2' ' HB1' ' A' ' 587' ' ' ALA . 7.7 mm-40 -60.36 -41.63 94.11 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.229 0.538 . . . . 0.0 109.933 177.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 592' ' ' PHE . . . . . 0.48 ' O ' HD21 ' A' ' 542' ' ' LEU . 83.8 m-85 -67.61 -45.62 74.93 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.401 175.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 593' ' ' GLU . . . . . 0.474 ' O ' ' HG2' ' A' ' 597' ' ' LYS . 11.9 mm-40 -59.44 -36.6 76.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.55 -178.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -64.37 -43.51 94.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.179 0.514 . . . . 0.0 109.851 174.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 595' ' ' LYS . . . . . 0.443 ' HD3' ' HA ' ' A' ' 595' ' ' LYS . 0.3 OUTLIER -65.95 -35.68 81.25 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.636 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 596' ' ' ARG . . . . . 0.628 ' HB2' HD21 ' A' ' 542' ' ' LEU . 33.5 ttp85 -60.82 -37.19 81.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.91 178.461 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 597' ' ' LYS . . . . . 0.606 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 39.2 mmtm -62.26 -48.59 79.26 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 121.309 0.576 . . . . 0.0 109.856 174.284 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -60.2 -56.07 26.07 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.964 -175.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.667 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.8 tm? -59.2 -38.1 79.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.627 -177.684 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 600' ' ' GLU . . . . . 0.549 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 39.7 tt0 -58.94 -41.65 87.92 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.851 176.153 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 601' ' ' GLN . . . . . 0.606 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 90.5 mt-30 -65.17 -32.58 74.33 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -178.52 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 602' ' ' VAL . . . . . 0.667 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.6 p -74.28 -40.29 50.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.786 -179.131 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 603' ' ' CYS . . . . . 0.647 ' HA ' HD13 ' A' ' 606' ' ' ILE . 8.4 p -83.33 -27.51 29.69 Favored 'General case' 0 C--O 1.223 -0.298 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -177.529 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 604' ' ' ASN . . . . . 0.599 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 25.7 t30 -49.9 -52.27 53.66 Favored Pre-proline 0 CA--C 1.543 0.68 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -175.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 605' ' ' PRO . . . . . 0.599 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 49.2 Cg_exo -60.55 -30.67 91.12 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 122.141 1.894 . . . . 0.0 112.492 178.568 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 606' ' ' ILE . . . . . 0.668 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -81.19 -40.13 18.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.27 -178.479 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 607' ' ' ILE . . . . . 0.622 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -64.72 -29.69 48.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.342 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 48.2 m -69.0 -11.71 61.03 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.646 178.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -113.85 -4.45 22.81 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.949 -0.643 . . . . 0.0 111.699 177.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 610' ' ' LEU . . . . . 0.904 HD21 ' HB ' ' A' ' 562' ' ' ILE . 59.6 mt . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.592 -0.718 . . . . 0.0 110.504 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 5.3 p . . . . . 0 N--CA 1.482 1.147 0 CA-C-O 120.591 0.234 . . . . 0.0 111.496 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.654 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . -69.38 -25.83 64.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.223 -177.42 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 539' ' ' LYS . . . . . 0.615 ' NZ ' ' HB3' ' A' ' 581' ' ' LEU . 3.4 tmtm? -67.99 -49.56 60.91 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 177.706 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -61.96 -42.93 99.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.65 -1.159 . . . . 0.0 110.737 177.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 541' ' ' ALA . . . . . 0.438 ' O ' ' HB2' ' A' ' 545' ' ' TYR . . . -62.11 -49.45 75.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 178.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.854 HD12 HG21 ' A' ' 577' ' ' VAL . 0.5 OUTLIER -63.35 -47.87 80.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.306 -0.407 . . . . 0.0 112.062 -176.479 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 543' ' ' GLU . . . . . 0.709 ' HG3' HD13 ' A' ' 581' ' ' LEU . 10.2 tt0 -68.39 -42.4 79.13 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.022 -174.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 23.0 t -65.61 -39.44 91.53 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.051 177.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 545' ' ' TYR . . . . . 0.531 ' CZ ' ' HG2' ' A' ' 600' ' ' GLU . 1.7 t80 -62.98 -48.55 78.36 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.055 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.97 -42.98 89.19 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.473 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -56.84 -44.27 81.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.362 174.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -59.33 -49.59 77.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.793 -179.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 549' ' ' MET . . . . . 0.445 ' HG2' ' O ' ' A' ' 545' ' ' TYR . 24.6 mmt -65.77 -41.46 92.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.198 0.523 . . . . 0.0 110.54 -178.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 550' ' ' LYS . . . . . 0.719 ' HG3' HD23 ' A' ' 571' ' ' LEU . 5.2 ttmm -61.46 -46.21 91.03 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.003 177.4 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 32.9 m -65.96 -35.36 80.38 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 176.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -63.92 -45.17 90.45 Favored 'General case' 0 C--O 1.225 -0.233 0 CA-C-O 120.776 0.322 . . . . 0.0 111.839 -177.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 553' ' ' VAL . . . . . 0.727 HG11 HG11 ' A' ' 570' ' ' VAL . 35.2 m -77.01 -35.79 23.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.095 0.474 . . . . 0.0 111.269 -178.297 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 554' ' ' GLU . . . . . 0.491 ' HB2' ' O ' ' A' ' 550' ' ' LYS . 0.4 OUTLIER -88.0 4.27 45.66 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.677 -178.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 555' ' ' ASP . . . . . 0.547 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 32.5 t70 -68.29 135.82 52.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.2 0.524 . . . . 0.0 110.767 178.458 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -69.66 -9.41 54.15 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.657 -0.702 . . . . 0.0 112.498 -176.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -102.2 -28.02 6.66 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.022 175.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 1.078 HD23 ' HD2' ' A' ' 561' ' ' LYS . 4.4 mt -91.7 -11.21 37.53 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.607 0.241 . . . . 0.0 111.455 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 57.3 pttt -64.73 127.6 32.23 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.163 -0.681 . . . . 0.0 109.163 173.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 103.44 -27.32 20.37 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.753 -0.736 . . . . 0.0 111.502 -172.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 561' ' ' LYS . . . . . 1.078 ' HD2' HD23 ' A' ' 558' ' ' LEU . 81.0 mttt -78.89 -38.19 38.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.323 0.582 . . . . 0.0 109.761 176.335 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 562' ' ' ILE . . . . . 0.776 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.6 tt -106.28 150.31 9.0 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.182 -179.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.76 145.06 34.61 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 175.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 564' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 568' ' ' LYS . 21.5 mm-40 -59.99 -31.68 70.14 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.617 -172.396 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -61.73 -43.22 99.27 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.038 177.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 566' ' ' ASP . . . . . 0.608 ' HB3' ' HB ' ' A' ' 606' ' ' ILE . 2.2 m-20 -68.64 -45.29 72.21 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 179.138 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.555 ' HE2' ' O ' ' A' ' 553' ' ' VAL . 35.8 ttmt -54.78 -48.36 72.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.894 175.46 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 568' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 564' ' ' GLU . 57.4 mtpt -63.53 -48.98 75.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.52 -178.222 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 569' ' ' LYS . . . . . 0.473 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 18.3 ptmt -60.97 -43.85 98.19 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.433 -174.434 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 570' ' ' VAL . . . . . 0.727 HG11 HG11 ' A' ' 553' ' ' VAL . 11.1 p -70.91 -44.57 75.77 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.498 -179.154 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 571' ' ' LEU . . . . . 0.719 HD23 ' HG3' ' A' ' 550' ' ' LYS . 29.1 mt -56.88 -47.24 80.93 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.037 0.446 . . . . 0.0 110.11 178.014 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -59.46 -46.95 87.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.407 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 573' ' ' LYS . . . . . 0.616 ' CG ' HG11 ' A' ' 602' ' ' VAL . 48.7 tptt -66.84 -40.77 88.04 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 574' ' ' CYS . . . . . 0.412 ' SG ' HD21 ' A' ' 599' ' ' LEU . 87.4 m -59.34 -38.34 80.09 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.964 0.412 . . . . 0.0 110.38 176.145 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -66.13 -37.28 85.31 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.059 176.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.84 -53.06 62.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.781 177.651 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 577' ' ' VAL . . . . . 0.854 HG21 HD12 ' A' ' 542' ' ' LEU . 0.6 OUTLIER -66.18 -43.68 91.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.335 179.551 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 578' ' ' ILE . . . . . 0.987 ' HA ' HD12 ' A' ' 581' ' ' LEU . 26.4 mt -61.67 -40.15 85.73 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -178.134 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 20.4 p -71.66 -33.93 69.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.137 0.494 . . . . 0.0 110.589 176.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 51.3 t90 -66.21 -35.44 80.46 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 176.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 581' ' ' LEU . . . . . 0.987 HD12 ' HA ' ' A' ' 578' ' ' ILE . 17.1 mt -61.76 -47.09 86.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.612 178.57 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -62.95 -35.32 79.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.507 0.67 . . . . 0.0 109.907 177.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -75.9 -31.46 59.2 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.912 -1.04 . . . . 0.0 111.686 -177.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 584' ' ' ASN . . . . . 0.682 ' HB3' ' HB2' ' A' ' 587' ' ' ALA . 41.3 m-80 -126.5 69.83 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.662 -177.193 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.44 -29.5 52.89 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.412 0.625 . . . . 0.0 110.65 177.435 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 586' ' ' LEU . . . . . 0.448 HD22 ' N ' ' A' ' 586' ' ' LEU . 3.0 mm? -96.51 6.28 49.07 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.793 -175.315 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 587' ' ' ALA . . . . . 0.682 ' HB2' ' HB3' ' A' ' 584' ' ' ASN . . . -56.18 156.2 5.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.502 176.014 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -78.75 162.17 26.33 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.081 175.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 589' ' ' LYS . . . . . 0.768 ' HD2' ' H ' ' A' ' 590' ' ' ASP . 0.0 OUTLIER -56.22 -41.93 76.45 Favored 'General case' 0 C--N 1.316 -0.86 0 O-C-N 123.252 0.345 . . . . 0.0 111.681 -175.461 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 590' ' ' ASP . . . . . 0.768 ' H ' ' HD2' ' A' ' 589' ' ' LYS . 12.9 m-20 -57.94 -35.23 70.83 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -61.24 -45.58 93.93 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.377 0.608 . . . . 0.0 109.707 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 592' ' ' PHE . . . . . 0.654 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 82.1 m-85 -66.84 -39.24 87.55 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.627 175.494 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 593' ' ' GLU . . . . . 0.476 ' O ' ' HG2' ' A' ' 597' ' ' LYS . 19.8 mm-40 -59.28 -40.49 86.23 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.356 -178.047 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -64.63 -43.2 94.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.011 0.434 . . . . 0.0 110.085 174.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 595' ' ' LYS . . . . . 0.548 ' HA ' ' HE3' ' A' ' 595' ' ' LYS . 0.0 OUTLIER -60.68 -37.61 82.16 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.863 179.174 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 596' ' ' ARG . . . . . 0.787 ' HB2' HD21 ' A' ' 542' ' ' LEU . 53.8 ttp85 -60.83 -49.91 75.59 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.017 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 597' ' ' LYS . . . . . 0.5 ' O ' ' HG2' ' A' ' 601' ' ' GLN . 24.1 mmmt -57.69 -43.73 85.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.45 -178.585 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 598' ' ' GLU . . . . . 0.438 ' OE1' ' HE3' ' A' ' 595' ' ' LYS . 45.3 mt-10 -60.15 -50.82 72.18 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.068 178.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.697 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.4 tm? -59.35 -44.42 92.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.694 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 600' ' ' GLU . . . . . 0.669 ' HG3' ' O ' ' A' ' 596' ' ' ARG . 33.3 mt-10 -57.23 -46.29 83.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.096 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 601' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 597' ' ' LYS . 13.6 mm100 -68.32 -22.99 64.67 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -178.296 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 602' ' ' VAL . . . . . 0.697 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.3 p -76.39 -41.86 35.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.711 175.599 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 603' ' ' CYS . . . . . 0.574 ' HB2' HD13 ' A' ' 607' ' ' ILE . 6.7 p -82.96 -27.73 30.29 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.645 -176.605 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 604' ' ' ASN . . . . . 0.635 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 37.2 t30 -49.87 -52.16 54.43 Favored Pre-proline 0 CA--C 1.54 0.562 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -177.444 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 605' ' ' PRO . . . . . 0.635 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 51.2 Cg_exo -60.52 -26.28 82.47 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 122.145 1.897 . . . . 0.0 112.394 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 606' ' ' ILE . . . . . 0.776 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -85.8 -40.54 14.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.014 -179.18 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 607' ' ' ILE . . . . . 0.584 ' N ' HG12 ' A' ' 606' ' ' ILE . 1.3 mp -64.19 -27.9 43.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.292 178.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 24.5 t -61.85 -20.47 63.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.723 176.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -117.55 27.7 7.48 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.985 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 610' ' ' LEU . . . . . 0.554 HD22 HD22 ' A' ' 558' ' ' LEU . 50.1 mt . . . . . 0 C--O 1.252 1.199 0 CA-C-O 118.401 -0.809 . . . . 0.0 110.513 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 N--CA 1.476 0.861 0 CA-C-O 120.921 0.391 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.618 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . -61.82 -36.09 80.13 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.23 -178.222 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 2.5 tmtm? -62.03 -48.77 78.8 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -178.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -64.17 -48.15 77.11 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.727 -178.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 541' ' ' ALA . . . . . 0.499 ' O ' ' HB2' ' A' ' 545' ' ' TYR . . . -62.39 -35.04 77.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.568 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.837 HD12 HD21 ' A' ' 581' ' ' LEU . 1.7 tm? -72.41 -48.07 44.18 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.182 -178.058 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 543' ' ' GLU . . . . . 1.026 ' HG3' HD13 ' A' ' 581' ' ' LEU . 5.9 tt0 -67.51 -47.11 70.92 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 120.771 0.319 . . . . 0.0 110.181 -178.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 48.8 m -57.73 -35.61 70.91 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.403 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 545' ' ' TYR . . . . . 0.499 ' HB2' ' O ' ' A' ' 541' ' ' ALA . 2.6 t80 -63.91 -50.28 69.35 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 178.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -66.42 -42.89 87.1 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 120.985 0.422 . . . . 0.0 110.317 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -57.41 -41.48 80.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.358 175.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 -63.66 -49.53 72.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.901 -0.591 . . . . 0.0 112.051 -178.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 549' ' ' MET . . . . . 0.445 ' HG2' ' O ' ' A' ' 545' ' ' TYR . 23.4 mmt -64.84 -41.49 95.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.454 0.645 . . . . 0.0 110.006 -179.516 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 550' ' ' LYS . . . . . 0.602 ' HG3' HD23 ' A' ' 571' ' ' LEU . 3.0 ttmm -60.34 -45.37 93.67 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.792 -1.095 . . . . 0.0 110.995 175.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 69.2 m -66.17 -36.35 82.86 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.595 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -65.08 -45.72 84.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.725 -177.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 553' ' ' VAL . . . . . 0.797 HG11 HG11 ' A' ' 570' ' ' VAL . 33.2 m -76.4 -36.16 28.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.286 0.565 . . . . 0.0 111.134 -179.164 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 554' ' ' GLU . . . . . 0.67 ' HA ' ' HE3' ' A' ' 567' ' ' LYS . 1.9 mm-40 -84.33 3.47 35.58 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.049 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 555' ' ' ASP . . . . . 0.54 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 30.9 t70 -64.82 132.99 51.01 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 176.13 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -70.81 -7.78 47.77 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.471 -175.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -101.87 -38.04 3.26 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.338 -0.934 . . . . 0.0 111.496 175.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.776 ' HA ' ' HD2' ' A' ' 561' ' ' LYS . 5.9 mt -80.5 -9.96 59.75 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 57.6 pttt -64.01 116.66 6.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.337 0.589 . . . . 0.0 109.466 174.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 113.76 -37.06 3.73 Favored Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -172.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 561' ' ' LYS . . . . . 0.776 ' HD2' ' HA ' ' A' ' 558' ' ' LEU . 78.8 mttt -66.63 -35.77 80.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.477 0.656 . . . . 0.0 110.215 175.388 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 562' ' ' ILE . . . . . 0.73 ' HB ' HD21 ' A' ' 610' ' ' LEU . 6.1 tt -106.11 151.19 8.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.14 174.202 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 19.6 m -70.97 143.3 50.9 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 175.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -59.93 -31.51 69.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.177 -176.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -62.98 -43.32 99.11 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.317 177.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 566' ' ' ASP . . . . . 0.627 ' HA ' ' HD3' ' A' ' 569' ' ' LYS . 36.1 m-20 -68.48 -43.37 77.1 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.687 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 86.0 tttt -54.74 -48.2 72.88 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.022 175.609 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -68.45 -44.44 74.86 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.94 -177.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 569' ' ' LYS . . . . . 0.627 ' HD3' ' HA ' ' A' ' 566' ' ' ASP . 21.2 pttt -63.9 -43.19 96.73 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.292 -176.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 570' ' ' VAL . . . . . 0.797 HG11 HG11 ' A' ' 553' ' ' VAL . 12.5 p -70.44 -40.15 77.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.663 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 571' ' ' LEU . . . . . 0.602 HD23 ' HG3' ' A' ' 550' ' ' LYS . 36.1 mt -59.06 -47.38 85.45 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 175.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -59.43 -47.1 86.77 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.699 177.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 573' ' ' LYS . . . . . 0.677 ' HZ1' ' HB3' ' A' ' 598' ' ' GLU . 48.5 tptt -63.76 -41.45 97.99 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.809 179.49 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 574' ' ' CYS . . . . . 0.562 ' SG ' HD21 ' A' ' 599' ' ' LEU . 96.6 m -62.5 -38.41 89.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.27 0.557 . . . . 0.0 109.888 177.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -65.62 -39.11 91.13 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.66 176.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.44 -55.3 36.62 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.369 176.607 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 577' ' ' VAL . . . . . 0.603 HG12 ' O ' ' A' ' 573' ' ' LYS . 1.3 p -66.68 -41.72 88.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.906 -179.236 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 578' ' ' ILE . . . . . 0.926 ' HA ' HD12 ' A' ' 581' ' ' LEU . 19.9 mt -61.25 -37.79 78.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.753 0.311 . . . . 0.0 110.968 179.221 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 45.8 m -68.83 -37.32 79.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.143 0.497 . . . . 0.0 110.191 174.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 56.3 t90 -65.12 -35.92 82.65 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.609 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 581' ' ' LEU . . . . . 1.026 HD13 ' HG3' ' A' ' 543' ' ' GLU . 14.6 mt -63.01 -47.28 83.77 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.151 -0.932 . . . . 0.0 111.646 178.656 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -64.05 -34.23 77.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.855 178.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -77.76 -31.27 51.94 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.735 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 584' ' ' ASN . . . . . 0.584 ' HB3' ' HB2' ' A' ' 587' ' ' ALA . 27.5 m-80 -118.96 63.6 0.78 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.104 -177.576 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 8.4 p -76.54 -12.83 60.09 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.948 176.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -105.28 7.09 33.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.512 -177.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 587' ' ' ALA . . . . . 0.584 ' HB2' ' HB3' ' A' ' 584' ' ' ASN . . . -62.48 153.78 30.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.009 178.431 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -85.44 170.98 12.17 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.125 176.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.21 -46.22 79.56 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -172.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 590' ' ' ASP . . . . . 0.483 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 7.6 p-10 -67.53 -22.81 65.4 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -176.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.88 -49.31 78.2 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 172.405 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 592' ' ' PHE . . . . . 0.618 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 84.0 m-85 -67.36 -44.45 78.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.18 179.242 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 593' ' ' GLU . . . . . 0.483 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 53.1 mt-10 -60.46 -40.93 92.99 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.715 -177.43 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -69.37 -40.49 77.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.983 0.42 . . . . 0.0 110.321 177.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 595' ' ' LYS . . . . . 0.456 ' HG2' HG23 ' A' ' 577' ' ' VAL . 16.9 tppt? -61.79 -36.46 81.17 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.289 175.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 596' ' ' ARG . . . . . 0.507 ' HB2' HD23 ' A' ' 542' ' ' LEU . 28.5 ttp180 -60.25 -38.47 83.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.84 178.185 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 597' ' ' LYS . . . . . 0.575 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 28.5 mmmt -64.71 -40.29 95.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.889 176.644 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 598' ' ' GLU . . . . . 0.677 ' HB3' ' HZ1' ' A' ' 573' ' ' LYS . 49.1 mt-10 -60.12 -56.25 23.91 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.688 0.756 . . . . 0.0 110.868 177.311 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.689 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.5 tm? -59.79 -40.34 87.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.728 -1.124 . . . . 0.0 109.253 -177.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 600' ' ' GLU . . . . . 0.485 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 31.9 tt0 -55.99 -47.24 78.08 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.945 177.442 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 601' ' ' GLN . . . . . 0.575 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 61.7 mt-30 -69.23 -24.16 63.97 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.484 -0.486 . . . . 0.0 112.092 -176.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 602' ' ' VAL . . . . . 0.689 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.6 p -76.27 -40.87 36.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 119.946 -0.701 . . . . 0.0 110.677 176.092 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 603' ' ' CYS . . . . . 0.608 ' HB2' HD13 ' A' ' 607' ' ' ILE . 17.3 p -83.32 -28.38 29.09 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.55 -177.445 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 604' ' ' ASN . . . . . 0.543 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 10.0 t30 -50.71 -52.1 59.67 Favored Pre-proline 0 CA--C 1.539 0.537 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -176.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 605' ' ' PRO . . . . . 0.543 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 60.7 Cg_exo -55.82 -34.25 90.74 Favored 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 122.237 1.958 . . . . 0.0 112.262 177.289 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 606' ' ' ILE . . . . . 0.674 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -81.27 -40.37 18.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.283 -176.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 607' ' ' ILE . . . . . 0.608 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -66.44 -35.58 75.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.902 -179.426 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 69.0 m -66.32 -20.54 66.12 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 120.813 0.339 . . . . 0.0 111.23 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -98.9 -9.45 52.21 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.9 178.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 610' ' ' LEU . . . . . 0.73 HD21 ' HB ' ' A' ' 562' ' ' ILE . 65.4 mt . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.693 -0.67 . . . . 0.0 110.736 -178.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 20.4 m . . . . . 0 N--CA 1.474 0.754 0 CA-C-O 120.432 0.158 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.539 ' O ' ' HB2' ' A' ' 542' ' ' LEU . . . -64.91 -29.95 70.92 Favored 'General case' 0 C--O 1.227 -0.112 0 CA-C-O 120.539 0.209 . . . . 0.0 110.857 179.308 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 539' ' ' LYS . . . . . 0.64 ' HE3' HG22 ' A' ' 585' ' ' THR . 13.4 tmtt? -65.01 -45.99 83.25 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 176.434 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -63.82 -47.6 80.17 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.638 177.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -58.13 -48.24 80.84 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 178.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.658 HD12 HG21 ' A' ' 577' ' ' VAL . 0.2 OUTLIER -62.0 -46.75 87.87 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.239 -177.523 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 543' ' ' GLU . . . . . 0.505 ' CB ' HD13 ' A' ' 581' ' ' LEU . 11.2 tt0 -67.05 -44.72 79.45 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.217 -176.612 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 63.7 m -66.48 -32.23 73.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.397 177.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 545' ' ' TYR . . . . . 0.423 ' O ' ' HG2' ' A' ' 549' ' ' MET . 4.7 t80 -66.14 -50.24 64.65 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.435 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.86 -40.51 91.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.213 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -57.63 -42.77 84.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.531 174.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -64.06 -49.11 73.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.733 -178.144 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 549' ' ' MET . . . . . 0.423 ' HG2' ' O ' ' A' ' 545' ' ' TYR . 21.3 mmt -62.96 -43.21 99.43 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.307 0.575 . . . . 0.0 109.942 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 550' ' ' LYS . . . . . 0.577 ' HG3' HD23 ' A' ' 571' ' ' LEU . 4.6 ttmm -58.36 -48.24 81.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.264 175.707 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 50.8 m -66.28 -36.28 82.57 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.605 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -64.75 -45.18 87.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.859 0.361 . . . . 0.0 111.759 -176.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 553' ' ' VAL . . . . . 0.826 HG11 HG11 ' A' ' 570' ' ' VAL . 35.0 m -75.55 -36.66 35.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.213 0.53 . . . . 0.0 111.057 -178.605 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 554' ' ' GLU . . . . . 0.693 ' HG2' HD11 ' A' ' 571' ' ' LEU . 3.8 mm-40 -86.24 4.11 40.22 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.892 -178.519 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 555' ' ' ASP . . . . . 0.603 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 29.2 t70 -65.9 141.21 58.32 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.378 0.608 . . . . 0.0 111.435 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 556' ' ' GLU . . . . . 0.589 ' O ' ' HG2' ' A' ' 559' ' ' LYS . 9.0 pt-20 -70.94 -16.61 62.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.13 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -94.2 -41.22 4.34 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.414 -0.898 . . . . 0.0 111.223 177.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.66 ' HA ' ' HG3' ' A' ' 561' ' ' LYS . 14.9 mt -80.65 1.63 29.17 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.236 -0.482 . . . . 0.0 111.947 178.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 559' ' ' LYS . . . . . 0.589 ' HG2' ' O ' ' A' ' 556' ' ' GLU . 18.1 ptpt -64.22 127.45 31.51 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 175.383 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 95.0 -20.48 48.94 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.816 -177.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 561' ' ' LYS . . . . . 0.66 ' HG3' ' HA ' ' A' ' 558' ' ' LEU . 32.1 mmtm -74.15 -35.23 64.05 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 176.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 562' ' ' ILE . . . . . 0.764 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.9 tt -111.19 151.63 13.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.887 178.725 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 24.9 m -77.64 156.18 30.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.409 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -55.25 -47.42 75.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.75 0.31 . . . . 0.0 111.123 -176.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -59.0 -43.13 91.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.89 -175.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 566' ' ' ASP . . . . . 0.549 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 14.4 m-20 -67.14 -47.94 69.58 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -178.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.701 ' HE2' ' O ' ' A' ' 553' ' ' VAL . 35.8 ttmt -54.95 -48.9 72.59 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.454 176.612 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -62.25 -45.62 92.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.734 -177.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 569' ' ' LYS . . . . . 0.549 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 17.4 pttt -67.34 -44.16 79.75 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.725 -175.321 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 570' ' ' VAL . . . . . 0.826 HG11 HG11 ' A' ' 553' ' ' VAL . 12.5 p -70.03 -38.57 75.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.824 -177.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 571' ' ' LEU . . . . . 0.693 HD11 ' HG2' ' A' ' 554' ' ' GLU . 35.5 mt -61.59 -49.08 78.05 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.848 0.356 . . . . 0.0 110.087 176.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -59.91 -43.94 94.57 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.399 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 573' ' ' LYS . . . . . 0.617 ' CG ' HG11 ' A' ' 602' ' ' VAL . 49.5 tptt -64.85 -42.54 94.8 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.863 177.668 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 574' ' ' CYS . . . . . 0.471 ' SG ' HD21 ' A' ' 599' ' ' LEU . 98.1 m -62.79 -39.19 93.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.537 178.232 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -64.65 -37.52 87.88 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.819 176.025 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -58.63 -55.54 33.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.646 178.132 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 577' ' ' VAL . . . . . 0.658 HG21 HD12 ' A' ' 542' ' ' LEU . 1.4 p -66.73 -40.38 85.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.723 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 578' ' ' ILE . . . . . 0.955 ' HA ' HD12 ' A' ' 581' ' ' LEU . 14.1 mt -60.97 -40.63 86.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.638 0.256 . . . . 0.0 111.584 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 13.1 p -72.67 -27.95 62.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.958 0.409 . . . . 0.0 110.632 176.027 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 80.0 t90 -71.18 -38.66 72.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.471 176.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 581' ' ' LEU . . . . . 0.955 HD12 ' HA ' ' A' ' 578' ' ' ILE . 44.7 mt -59.31 -44.36 92.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.635 176.475 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -65.15 -31.01 71.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.351 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -85.81 -32.33 21.82 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.708 -176.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -118.34 53.11 0.98 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.699 -176.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 585' ' ' THR . . . . . 0.64 HG22 ' HE3' ' A' ' 539' ' ' LYS . 18.7 p -68.85 -17.35 63.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.339 0.59 . . . . 0.0 110.656 177.277 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 586' ' ' LEU . . . . . 0.468 HD22 ' N ' ' A' ' 586' ' ' LEU . 2.2 mm? -96.18 5.58 50.73 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.144 -0.934 . . . . 0.0 110.75 -175.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -68.41 158.65 33.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.244 176.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -89.22 168.8 11.98 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 176.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 589' ' ' LYS . . . . . 0.454 ' O ' ' HG3' ' A' ' 593' ' ' GLU . 20.1 pttm -56.11 -44.76 79.39 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -170.709 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 590' ' ' ASP . . . . . 0.474 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 2.5 p-10 -60.01 -29.22 68.33 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -177.294 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -61.32 -44.23 97.55 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.353 0.596 . . . . 0.0 109.672 174.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 592' ' ' PHE . . . . . 0.49 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 90.8 m-85 -70.04 -44.62 68.85 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.743 177.241 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 593' ' ' GLU . . . . . 0.586 ' O ' ' HG2' ' A' ' 597' ' ' LYS . 45.2 mt-10 -58.29 -36.23 73.02 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.806 -177.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 594' ' ' HIS . . . . . 0.434 ' O ' ' HB2' ' A' ' 597' ' ' LYS . 2.1 t-80 -71.39 -39.45 71.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.219 0.533 . . . . 0.0 109.956 177.051 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 595' ' ' LYS . . . . . 0.45 ' HA ' ' HD3' ' A' ' 595' ' ' LYS . 11.7 tppt? -65.75 -35.72 81.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.248 177.687 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 596' ' ' ARG . . . . . 0.56 ' HB2' HD21 ' A' ' 542' ' ' LEU . 7.6 ttp180 -57.98 -44.54 87.2 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 175.536 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 597' ' ' LYS . . . . . 0.586 ' HG2' ' O ' ' A' ' 593' ' ' GLU . 66.9 mmtt -54.43 -46.3 73.21 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.418 177.681 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 598' ' ' GLU . . . . . 0.479 ' HB3' ' NZ ' ' A' ' 573' ' ' LYS . 49.1 mt-10 -60.68 -53.99 50.67 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.5 0.667 . . . . 0.0 110.959 176.582 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.643 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.0 tm? -60.54 -39.73 88.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.925 -177.161 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 600' ' ' GLU . . . . . 0.534 ' HG3' ' O ' ' A' ' 596' ' ' ARG . 51.7 mt-10 -55.94 -46.14 78.59 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.636 175.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 601' ' ' GLN . . . . . 0.539 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 45.8 mt-30 -68.65 -27.75 66.27 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -176.433 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 602' ' ' VAL . . . . . 0.643 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.6 p -75.84 -40.44 39.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 120.219 -0.592 . . . . 0.0 110.482 177.25 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 603' ' ' CYS . . . . . 0.641 ' HB2' HD13 ' A' ' 607' ' ' ILE . 19.8 p -83.03 -26.86 30.78 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.485 -177.597 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 604' ' ' ASN . . . . . 0.62 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 27.8 t30 -49.18 -54.01 33.43 Favored Pre-proline 0 N--CA 1.472 0.663 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 -176.73 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 605' ' ' PRO . . . . . 0.62 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 52.2 Cg_exo -58.94 -32.68 97.91 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 122.009 1.806 . . . . 0.0 111.976 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 606' ' ' ILE . . . . . 0.764 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -81.23 -40.61 18.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 114.966 -1.015 . . . . 0.0 110.22 -177.244 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 607' ' ' ILE . . . . . 0.641 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -66.76 -30.85 51.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.076 178.01 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 30.3 t -62.97 -29.11 70.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.096 174.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -98.33 5.8 61.03 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.358 178.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 610' ' ' LEU . . . . . 0.585 HD22 HD22 ' A' ' 558' ' ' LEU . 60.7 mt . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.749 -0.643 . . . . 0.0 109.975 178.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 23.9 m . . . . . 0 N--CA 1.473 0.718 0 CA-C-O 121.144 0.497 . . . . 0.0 110.443 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.426 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . -64.56 -27.54 69.03 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.836 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 539' ' ' LYS . . . . . 0.556 ' NZ ' ' HB3' ' A' ' 581' ' ' LEU . 2.1 tmtm? -60.89 -49.78 76.06 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 176.31 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -62.07 -44.83 95.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.617 -178.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -62.87 -42.78 99.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.75 179.008 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.798 HD21 ' HB2' ' A' ' 596' ' ' ARG . 0.4 OUTLIER -65.32 -47.62 75.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.764 -177.908 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 543' ' ' GLU . . . . . 0.675 ' HG3' HD13 ' A' ' 581' ' ' LEU . 9.2 tt0 -66.9 -40.57 87.75 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.154 -176.404 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 39.6 m -66.29 -39.13 89.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.459 176.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 545' ' ' TYR . . . . . 0.571 ' CD1' HD12 ' A' ' 599' ' ' LEU . 2.6 t80 -62.45 -48.7 78.5 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 179.484 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.42 -44.3 87.81 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.233 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -56.78 -44.01 81.43 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.465 176.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -58.85 -48.88 79.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.793 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 549' ' ' MET . . . . . 0.464 ' HG2' ' O ' ' A' ' 545' ' ' TYR . 22.5 mmt -66.53 -42.39 87.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.291 0.567 . . . . 0.0 110.469 -179.129 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 550' ' ' LYS . . . . . 0.65 ' HG3' HD23 ' A' ' 571' ' ' LEU . 7.1 ttmm -61.53 -46.03 91.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.964 177.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 58.1 m -63.17 -36.16 82.72 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.584 176.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -65.81 -46.16 79.65 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.963 0.356 . . . . 0.0 111.963 -176.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 553' ' ' VAL . . . . . 0.791 HG11 HG11 ' A' ' 570' ' ' VAL . 34.6 m -76.83 -35.27 24.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.414 0.626 . . . . 0.0 111.542 -178.252 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 554' ' ' GLU . . . . . 0.697 ' HA ' ' HE3' ' A' ' 567' ' ' LYS . 0.6 OUTLIER -85.9 4.16 38.64 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.868 -179.415 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 555' ' ' ASP . . . . . 0.475 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 32.0 t70 -67.63 138.41 56.37 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.194 0.521 . . . . 0.0 110.777 178.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 556' ' ' GLU . . . . . 0.619 ' O ' ' HG2' ' A' ' 559' ' ' LYS . 40.0 mm-40 -70.0 -18.45 63.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.584 -0.734 . . . . 0.0 112.096 -176.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -91.26 -32.92 8.42 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.354 -0.927 . . . . 0.0 111.127 178.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 1.01 ' HA ' ' HD2' ' A' ' 561' ' ' LYS . 5.6 mt -86.69 2.28 49.11 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.439 -0.38 . . . . 0.0 111.846 179.492 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 559' ' ' LYS . . . . . 0.619 ' HG2' ' O ' ' A' ' 556' ' ' GLU . 6.6 ptpp? -64.23 130.08 42.46 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 174.55 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 91.04 -24.46 18.33 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.528 -0.844 . . . . 0.0 111.976 -175.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 561' ' ' LYS . . . . . 1.01 ' HD2' ' HA ' ' A' ' 558' ' ' LEU . 87.7 mttt -73.68 -39.32 64.49 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.333 0.587 . . . . 0.0 110.588 178.356 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 562' ' ' ILE . . . . . 0.72 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.4 tt -107.37 151.57 9.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.477 175.395 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 22.1 m -77.16 152.59 34.78 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -56.61 -43.73 80.44 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.142 0.276 . . . . 0.0 110.693 -176.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -58.27 -43.2 87.83 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.59 -177.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 566' ' ' ASP . . . . . 0.538 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 37.3 m-20 -67.57 -48.63 66.37 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.697 ' HE3' ' HA ' ' A' ' 554' ' ' GLU . 85.5 tttt -54.55 -48.0 72.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.668 176.619 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 568' ' ' LYS . . . . . 0.401 ' NZ ' ' HB3' ' A' ' 568' ' ' LYS . 10.1 mtpm? -61.93 -47.1 86.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.644 -178.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 569' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 18.0 ptmt -64.35 -44.68 90.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.426 -174.32 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 570' ' ' VAL . . . . . 0.791 HG11 HG11 ' A' ' 553' ' ' VAL . 13.8 p -70.82 -38.34 72.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.534 -179.54 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 571' ' ' LEU . . . . . 0.65 HD23 ' HG3' ' A' ' 550' ' ' LYS . 45.6 mt -61.25 -48.73 80.09 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.981 0.419 . . . . 0.0 110.003 176.218 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -60.87 -47.19 87.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.832 -179.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 573' ' ' LYS . . . . . 0.606 ' O ' HG12 ' A' ' 577' ' ' VAL . 49.9 tptt -65.85 -37.48 86.29 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.923 178.432 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 574' ' ' CYS . . . . . 0.598 ' SG ' HD12 ' A' ' 578' ' ' ILE . 4.7 t -59.48 -47.04 87.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.538 0.685 . . . . 0.0 109.944 175.114 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -59.7 -37.51 79.05 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.334 176.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -58.93 -55.47 34.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.706 0.289 . . . . 0.0 111.057 176.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 577' ' ' VAL . . . . . 0.75 HG21 HD12 ' A' ' 542' ' ' LEU . 1.0 OUTLIER -64.83 -42.45 94.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.09 -178.869 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 578' ' ' ILE . . . . . 0.927 ' HA ' HD12 ' A' ' 581' ' ' LEU . 30.2 mt -62.27 -41.47 91.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.865 0.364 . . . . 0.0 111.325 178.749 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 33.6 t -65.28 -38.44 90.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.278 0.561 . . . . 0.0 110.148 176.319 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 44.7 t90 -70.01 -35.3 74.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.847 179.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 581' ' ' LEU . . . . . 0.927 HD12 ' HA ' ' A' ' 578' ' ' ILE . 19.8 mt -59.05 -45.07 91.7 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.421 177.485 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -68.77 -33.09 73.3 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.187 178.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -80.78 -31.7 35.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.938 -176.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 584' ' ' ASN . . . . . 0.579 ' HB3' ' HB2' ' A' ' 587' ' ' ALA . 12.5 m120 -128.55 58.18 1.57 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.053 0.454 . . . . 0.0 110.786 -177.633 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.26 -19.54 64.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.383 0.611 . . . . 0.0 110.192 176.036 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 586' ' ' LEU . . . . . 0.475 HD22 ' N ' ' A' ' 586' ' ' LEU . 2.9 mm? -95.16 5.15 52.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.716 -177.618 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 587' ' ' ALA . . . . . 0.579 ' HB2' ' HB3' ' A' ' 584' ' ' ASN . . . -58.34 151.94 18.65 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -67.73 161.49 25.88 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.11 175.143 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -56.38 -44.36 80.12 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.194 0.521 . . . . 0.0 110.811 -176.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 590' ' ' ASP . . . . . 0.431 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 3.9 m-20 -61.54 -31.62 71.65 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.661 -177.456 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -61.38 -45.62 93.59 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 592' ' ' PHE . . . . . 0.54 ' O ' HD21 ' A' ' 542' ' ' LEU . 90.9 m-85 -65.89 -42.48 90.24 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.67 175.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 593' ' ' GLU . . . . . 0.491 ' O ' ' HG2' ' A' ' 597' ' ' LYS . 60.8 mm-40 -58.35 -42.73 87.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.215 -177.235 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -67.13 -38.69 85.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.002 0.429 . . . . 0.0 110.003 177.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 595' ' ' LYS . . . . . 0.549 ' HA ' ' HE3' ' A' ' 595' ' ' LYS . 0.4 OUTLIER -64.5 -36.16 83.31 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.725 179.521 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 596' ' ' ARG . . . . . 0.798 ' HB2' HD21 ' A' ' 542' ' ' LEU . 11.3 ttp180 -61.73 -41.95 98.32 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.058 -0.973 . . . . 0.0 109.815 177.254 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 597' ' ' LYS . . . . . 0.536 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 27.1 mmmt -67.1 -43.68 81.89 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.423 179.232 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -61.37 -51.18 69.86 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.574 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.715 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.4 tm? -60.19 -40.32 89.59 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 179.223 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 600' ' ' GLU . . . . . 0.482 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 30.1 tt0 -55.9 -48.69 75.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.881 175.396 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 601' ' ' GLN . . . . . 0.536 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 47.7 mt-30 -69.16 -22.44 63.93 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -178.245 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 602' ' ' VAL . . . . . 0.715 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.5 p -77.43 -40.51 28.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.099 176.259 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 603' ' ' CYS . . . . . 0.644 ' HB2' HD13 ' A' ' 607' ' ' ILE . 21.6 p -82.69 -27.12 31.45 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.472 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 604' ' ' ASN . . . . . 0.519 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 10.9 t30 -50.17 -50.43 69.94 Favored Pre-proline 0 CA--C 1.543 0.69 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -177.687 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 605' ' ' PRO . . . . . 0.519 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 50.1 Cg_exo -58.16 -25.62 72.33 Favored 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 122.27 1.98 . . . . 0.0 112.586 177.054 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 606' ' ' ILE . . . . . 0.72 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -91.39 -40.94 12.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.564 -177.758 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 607' ' ' ILE . . . . . 0.644 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -66.89 -30.21 48.87 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 C-N-CA 123.027 0.531 . . . . 0.0 111.008 -178.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 4.3 p -68.85 -11.25 60.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.511 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -115.43 -3.94 20.38 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.3 176.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 610' ' ' LEU . . . . . 0.656 HD21 ' HB ' ' A' ' 562' ' ' ILE . 60.4 mt . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.676 -0.678 . . . . 0.0 111.001 -178.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 21.6 m . . . . . 0 N--CA 1.476 0.857 0 CA-C-O 120.712 0.292 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.561 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . -59.19 -41.96 89.74 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.997 -177.387 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 539' ' ' LYS . . . . . 0.58 ' HZ3' HG23 ' A' ' 585' ' ' THR . 2.3 tmtm? -56.87 -49.24 76.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.952 0.406 . . . . 0.0 109.954 178.116 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -63.97 -47.87 78.71 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.921 -176.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 541' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' ' 545' ' ' TYR . . . -64.71 -38.51 91.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.711 179.03 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.686 HD12 HD21 ' A' ' 581' ' ' LEU . 2.0 tm? -66.26 -47.78 72.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.011 -177.675 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 543' ' ' GLU . . . . . 0.756 ' HG3' HD13 ' A' ' 581' ' ' LEU . 15.2 tt0 -68.44 -42.28 79.07 Favored 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -178.493 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 22.5 t -61.84 -35.23 77.65 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.908 177.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 545' ' ' TYR . . . . . 0.461 ' OH ' ' HG2' ' A' ' 600' ' ' GLU . 4.0 t80 -64.21 -49.13 73.21 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.027 179.018 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -66.3 -40.4 89.99 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.173 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -59.11 -42.27 90.14 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.726 174.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -64.05 -48.36 76.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.035 -177.294 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 549' ' ' MET . . . . . 0.41 ' HG3' ' CD1' ' A' ' 599' ' ' LEU . 17.6 mmt -64.39 -43.26 95.0 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.528 0.68 . . . . 0.0 110.018 179.122 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 550' ' ' LYS . . . . . 0.643 ' HG3' HD23 ' A' ' 571' ' ' LEU . 2.7 ttmm -59.0 -44.04 91.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.176 176.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 8.3 t -65.97 -36.54 83.6 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.841 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -64.18 -46.31 84.54 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -176.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 553' ' ' VAL . . . . . 0.771 HG11 HG11 ' A' ' 570' ' ' VAL . 33.8 m -76.71 -31.91 20.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.677 0.751 . . . . 0.0 111.195 -178.408 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 554' ' ' GLU . . . . . 0.571 ' HB2' ' O ' ' A' ' 550' ' ' LYS . 0.7 OUTLIER -87.01 5.62 36.45 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.067 -0.969 . . . . 0.0 111.729 178.489 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 555' ' ' ASP . . . . . 0.442 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 27.8 t70 -72.8 137.04 45.54 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.979 176.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -70.02 -14.5 62.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.359 -176.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -99.72 -18.0 24.28 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.177 -1.011 . . . . 0.0 111.608 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.676 HD22 HD22 ' A' ' 610' ' ' LEU . 13.5 mt -100.61 -5.61 26.47 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.673 -0.264 . . . . 0.0 111.644 178.277 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -67.56 125.04 24.9 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 171.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 100.25 -23.78 34.58 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.227 -172.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 561' ' ' LYS . . . . . 0.564 ' HG3' ' HA ' ' A' ' 558' ' ' LEU . 33.8 mmtm -77.84 -43.69 29.58 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.535 0.683 . . . . 0.0 109.301 173.675 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 562' ' ' ILE . . . . . 0.746 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.3 tt -105.59 149.49 8.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 CA-C-N 114.845 -1.071 . . . . 0.0 109.728 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 22.1 m -78.6 150.66 32.67 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -54.61 -41.5 70.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.55 0.214 . . . . 0.0 111.358 -173.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -58.21 -42.91 87.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.589 -177.094 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 566' ' ' ASP . . . . . 0.498 ' HB3' ' HB ' ' A' ' 606' ' ' ILE . 20.9 m-20 -69.31 -46.57 66.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.083 0.468 . . . . 0.0 109.938 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.519 ' NZ ' ' HA ' ' A' ' 554' ' ' GLU . 29.3 tttp -54.26 -47.86 71.83 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.609 175.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -66.56 -47.68 72.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.752 -178.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 569' ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 0.0 OUTLIER -60.97 -44.3 97.53 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 110.297 -0.261 . . . . 0.0 110.297 -175.383 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 570' ' ' VAL . . . . . 0.771 HG11 HG11 ' A' ' 553' ' ' VAL . 12.1 p -70.42 -43.2 78.36 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.232 -179.036 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 571' ' ' LEU . . . . . 0.643 HD23 ' HG3' ' A' ' 550' ' ' LYS . 41.6 mt -59.76 -45.56 91.85 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.787 0.327 . . . . 0.0 110.486 177.63 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 572' ' ' ASP . . . . . 0.467 ' O ' ' HG3' ' A' ' 576' ' ' GLU . 21.4 t70 -61.94 -47.99 82.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.254 -179.429 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 573' ' ' LYS . . . . . 0.611 ' O ' HG12 ' A' ' 577' ' ' VAL . 44.7 tptt -64.4 -41.88 96.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.063 178.393 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 574' ' ' CYS . . . . . 0.445 ' SG ' HD21 ' A' ' 599' ' ' LEU . 91.4 m -61.15 -38.64 87.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.043 0.449 . . . . 0.0 110.004 177.526 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -65.02 -39.36 93.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.141 176.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 576' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 572' ' ' ASP . 49.9 mt-10 -58.65 -56.16 25.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.088 0.47 . . . . 0.0 110.279 177.534 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 577' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 573' ' ' LYS . 2.1 p -66.34 -39.7 84.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.731 -177.124 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 578' ' ' ILE . . . . . 0.913 ' HA ' HD12 ' A' ' 581' ' ' LEU . 13.2 mt -61.63 -41.89 92.07 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 CA-C-O 120.865 0.365 . . . . 0.0 110.898 177.322 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 26.6 t -65.45 -35.58 81.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.189 0.518 . . . . 0.0 109.934 175.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 580' ' ' TRP . . . . . 0.65 ' CZ2' ' HG3' ' A' ' 591' ' ' GLU . 46.5 t90 -68.67 -37.22 79.46 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.851 178.68 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 581' ' ' LEU . . . . . 0.913 HD12 ' HA ' ' A' ' 578' ' ' ILE . 14.7 mt -57.96 -46.59 84.88 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.79 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -68.84 -21.97 64.25 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.646 178.056 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -90.66 -31.77 16.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.081 -175.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -125.5 47.18 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.431 -177.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 585' ' ' THR . . . . . 0.58 HG23 ' HZ3' ' A' ' 539' ' ' LYS . 0.2 OUTLIER -61.74 -23.04 65.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.27 177.266 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 586' ' ' LEU . . . . . 0.406 ' H ' HD22 ' A' ' 586' ' ' LEU . 1.0 OUTLIER -90.18 5.52 46.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.77 -175.746 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 587' ' ' ALA . . . . . 0.501 ' HB1' ' HB3' ' A' ' 591' ' ' GLU . . . -60.54 157.54 14.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.062 179.004 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -77.07 171.02 15.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.103 175.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 589' ' ' LYS . . . . . 0.923 ' HD3' ' H ' ' A' ' 589' ' ' LYS . 0.0 OUTLIER -56.47 -46.43 80.41 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.363 -176.475 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 590' ' ' ASP . . . . . 0.459 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 5.4 p-10 -66.33 -23.6 66.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.939 -175.62 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 591' ' ' GLU . . . . . 0.65 ' HG3' ' CZ2' ' A' ' 580' ' ' TRP . 7.9 tp10 -65.2 -46.21 81.62 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 178.254 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 592' ' ' PHE . . . . . 0.561 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 94.0 m-85 -68.72 -40.38 79.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.138 177.005 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 593' ' ' GLU . . . . . 0.459 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 5.8 mm-40 -59.87 -44.97 93.87 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.877 -179.29 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -67.65 -39.88 84.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.505 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 595' ' ' LYS . . . . . 0.45 ' HE2' ' HB2' ' A' ' 595' ' ' LYS . 8.4 tppt? -62.87 -35.04 78.69 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.149 0.5 . . . . 0.0 109.96 178.023 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 596' ' ' ARG . . . . . 0.482 ' O ' ' HG3' ' A' ' 600' ' ' GLU . 4.2 ttp85 -60.6 -42.89 97.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.948 178.053 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 597' ' ' LYS . . . . . 0.546 ' O ' ' HG2' ' A' ' 601' ' ' GLN . 26.7 mmmt -62.52 -41.88 99.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.382 176.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -59.46 -51.37 70.16 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.714 0.769 . . . . 0.0 110.541 177.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.662 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.1 tm? -59.68 -41.56 90.98 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.633 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 600' ' ' GLU . . . . . 0.548 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 38.6 mt-10 -56.17 -46.75 79.22 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.027 176.008 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 601' ' ' GLN . . . . . 0.546 ' HG2' ' O ' ' A' ' 597' ' ' LYS . 24.6 mm-40 -61.48 -30.36 70.55 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -178.711 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 602' ' ' VAL . . . . . 0.662 HG12 ' O ' ' A' ' 599' ' ' LEU . 0.8 OUTLIER -76.39 -41.62 35.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 120.203 -0.599 . . . . 0.0 111.273 178.176 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 603' ' ' CYS . . . . . 0.64 ' HB2' HD13 ' A' ' 607' ' ' ILE . 24.5 p -82.84 -26.54 31.56 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 111.538 0.199 . . . . 0.0 111.538 -177.138 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 604' ' ' ASN . . . . . 0.605 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 21.0 t30 -49.48 -53.29 42.02 Favored Pre-proline 0 N--CA 1.472 0.659 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -177.037 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 605' ' ' PRO . . . . . 0.605 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 52.9 Cg_exo -59.87 -22.96 70.66 Favored 'Trans proline' 0 C--N 1.357 0.985 0 C-N-CA 122.257 1.972 . . . . 0.0 112.285 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 606' ' ' ILE . . . . . 0.746 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -91.76 -40.87 12.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.316 -178.218 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 607' ' ' ILE . . . . . 0.64 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -67.07 -32.25 57.02 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.932 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 3.7 p -70.42 -18.46 63.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.968 0.413 . . . . 0.0 110.743 177.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -97.48 -4.06 58.35 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 111.605 -0.598 . . . . 0.0 111.605 175.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 610' ' ' LEU . . . . . 0.676 HD22 HD22 ' A' ' 558' ' ' LEU . 68.3 mt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.372 -0.823 . . . . 0.0 110.031 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 537' ' ' SER . . . . . 0.46 ' HB3' ' CG ' ' A' ' 540' ' ' ASN . 41.3 t . . . . . 0 N--CA 1.478 0.933 0 CA-C-O 120.823 0.344 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.511 ' O ' ' HB2' ' A' ' 542' ' ' LEU . . . -69.13 -27.92 66.0 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.1 177.018 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 539' ' ' LYS . . . . . 0.418 ' HE3' HG22 ' A' ' 585' ' ' THR . 13.0 tmtt? -64.46 -47.19 79.94 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 174.684 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 540' ' ' ASN . . . . . 0.46 ' CG ' ' HB3' ' A' ' 537' ' ' SER . 13.9 m-20 -58.54 -47.94 82.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.724 177.32 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -61.65 -46.17 90.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 178.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.704 HD21 ' HB2' ' A' ' 596' ' ' ARG . 0.2 OUTLIER -61.7 -48.15 82.06 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.642 -176.841 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 543' ' ' GLU . . . . . 0.559 ' CB ' HD13 ' A' ' 581' ' ' LEU . 11.3 tt0 -68.69 -39.98 80.27 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.351 -176.545 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 23.6 m -64.76 -40.56 95.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.156 176.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 545' ' ' TYR . . . . . 0.526 ' O ' ' HG2' ' A' ' 549' ' ' MET . 2.4 t80 -61.59 -48.99 78.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.822 178.609 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.2 -43.25 92.18 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.423 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -58.62 -42.47 88.29 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.676 175.187 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -59.63 -49.87 76.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.391 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 549' ' ' MET . . . . . 0.526 ' HG2' ' O ' ' A' ' 545' ' ' TYR . 19.3 mmt -65.68 -44.02 87.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.228 0.537 . . . . 0.0 110.155 -178.457 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 550' ' ' LYS . . . . . 0.708 ' HG3' HD23 ' A' ' 571' ' ' LEU . 4.7 ttmm -60.15 -46.06 90.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.748 177.07 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 13.4 t -65.97 -37.01 84.88 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 178.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -65.59 -46.0 81.04 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -177.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 553' ' ' VAL . . . . . 0.77 HG11 HG11 ' A' ' 570' ' ' VAL . 34.4 m -75.84 -32.01 23.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.714 0.768 . . . . 0.0 111.096 -178.552 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 554' ' ' GLU . . . . . 0.61 ' HB2' ' O ' ' A' ' 550' ' ' LYS . 1.0 OUTLIER -89.2 4.71 47.73 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.954 178.525 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 555' ' ' ASP . . . . . 0.605 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 18.1 t70 -69.39 135.91 50.94 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.263 178.283 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -69.84 -10.09 57.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.256 -176.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -101.48 -32.03 5.31 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.68 -0.771 . . . . 0.0 111.364 176.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.738 ' HA ' ' HG3' ' A' ' 561' ' ' LYS . 15.7 mt -87.49 -3.5 59.0 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 179.024 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -69.06 130.21 42.11 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 174.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 95.88 -28.28 13.19 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.7 -0.762 . . . . 0.0 111.745 -173.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 561' ' ' LYS . . . . . 0.738 ' HG3' ' HA ' ' A' ' 558' ' ' LEU . 60.2 mmtt -69.57 -41.22 76.12 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 175.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 562' ' ' ILE . . . . . 0.656 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.6 tt -106.22 149.26 9.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.961 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 15.0 m -74.17 148.79 41.37 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.18 -40.14 70.35 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.628 -175.108 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -59.01 -43.48 91.56 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -178.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 566' ' ' ASP . . . . . 0.521 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 26.5 m-20 -68.63 -46.89 68.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.95 0.405 . . . . 0.0 109.922 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.462 ' NZ ' ' HA ' ' A' ' 554' ' ' GLU . 26.6 tttp -53.97 -48.02 70.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.661 175.376 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -65.07 -46.47 81.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.941 -178.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 569' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 0.0 OUTLIER -64.42 -44.94 89.62 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 121.145 -0.222 . . . . 0.0 110.458 -175.634 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 570' ' ' VAL . . . . . 0.77 HG11 HG11 ' A' ' 553' ' ' VAL . 12.0 p -70.43 -42.16 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.012 -177.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 571' ' ' LEU . . . . . 0.708 HD23 ' HG3' ' A' ' 550' ' ' LYS . 30.6 mt -57.39 -48.6 78.65 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.087 0.47 . . . . 0.0 110.23 177.104 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -61.55 -45.54 93.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.615 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 573' ' ' LYS . . . . . 0.611 ' CG ' HG11 ' A' ' 602' ' ' VAL . 49.1 tptt -65.48 -41.38 93.37 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.752 179.464 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 574' ' ' CYS . . . . . 0.533 ' SG ' HD21 ' A' ' 599' ' ' LEU . 68.7 m -59.3 -39.23 82.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.449 175.453 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -65.4 -36.69 84.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.934 176.639 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 576' ' ' GLU . . . . . 0.403 ' CD ' ' HZ2' ' A' ' 573' ' ' LYS . 0.7 OUTLIER -59.9 -56.35 22.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.973 0.416 . . . . 0.0 110.374 177.228 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 577' ' ' VAL . . . . . 0.655 HG21 HD12 ' A' ' 542' ' ' LEU . 1.4 p -66.27 -41.01 88.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.474 -178.586 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 578' ' ' ILE . . . . . 0.901 ' HA ' HD12 ' A' ' 581' ' ' LEU . 17.9 mt -60.91 -38.7 79.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.75 0.309 . . . . 0.0 111.02 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 29.1 t -68.46 -36.38 78.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.089 0.471 . . . . 0.0 110.201 174.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 82.9 t90 -69.64 -36.57 76.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.923 179.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 581' ' ' LEU . . . . . 0.901 HD12 ' HA ' ' A' ' 578' ' ' ILE . 48.7 mt -61.0 -47.21 87.53 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.914 178.383 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -68.7 -21.32 64.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.491 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -93.0 -31.35 14.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.781 -178.107 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 584' ' ' ASN . . . . . 0.421 ' HB3' ' HB2' ' A' ' 587' ' ' ALA . 13.5 m120 -122.5 58.89 1.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -178.493 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 585' ' ' THR . . . . . 0.418 HG22 ' HE3' ' A' ' 539' ' ' LYS . 40.0 p -72.93 -12.82 61.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.868 0.842 . . . . 0.0 109.298 174.653 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 586' ' ' LEU . . . . . 0.504 HD22 ' N ' ' A' ' 586' ' ' LEU . 1.9 mm? -93.94 0.02 55.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.335 -1.302 . . . . 0.0 110.432 -176.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 587' ' ' ALA . . . . . 0.421 ' HB2' ' HB3' ' A' ' 584' ' ' ASN . . . -66.71 153.34 43.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.733 -179.207 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -77.84 168.13 20.41 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.249 177.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -56.78 -46.15 81.68 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.912 0.387 . . . . 0.0 111.569 -174.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 590' ' ' ASP . . . . . 0.46 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 10.6 p-10 -67.39 -25.41 65.94 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.142 -177.219 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 591' ' ' GLU . . . . . 0.403 ' HB2' ' HB1' ' A' ' 587' ' ' ALA . 36.2 mm-40 -61.51 -47.03 87.46 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 174.668 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 592' ' ' PHE . . . . . 0.519 ' O ' HD21 ' A' ' 542' ' ' LEU . 98.5 m-85 -64.91 -44.93 87.94 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.03 176.72 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 593' ' ' GLU . . . . . 0.46 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 10.8 mm-40 -58.42 -38.07 76.67 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.803 0.335 . . . . 0.0 111.347 -176.508 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.68 -36.31 70.56 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 175.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 595' ' ' LYS . . . . . 0.474 ' HD3' ' HA ' ' A' ' 595' ' ' LYS . 14.1 tppt? -64.35 -37.22 86.75 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 121.105 0.479 . . . . 0.0 109.82 174.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 596' ' ' ARG . . . . . 0.704 ' HB2' HD21 ' A' ' 542' ' ' LEU . 39.0 ttp85 -59.46 -38.99 82.18 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.12 177.126 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 597' ' ' LYS . . . . . 0.637 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 59.8 mmtt -67.01 -39.77 87.15 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.726 177.085 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 598' ' ' GLU . . . . . 0.498 ' HB3' ' NZ ' ' A' ' 573' ' ' LYS . 39.3 mt-10 -60.21 -53.3 59.34 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.43 0.634 . . . . 0.0 110.475 175.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.697 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.1 tm? -61.71 -40.47 95.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.131 -0.941 . . . . 0.0 109.148 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 600' ' ' GLU . . . . . 0.465 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 31.8 tt0 -55.4 -46.39 76.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.828 177.108 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 601' ' ' GLN . . . . . 0.637 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 75.3 mt-30 -67.16 -29.99 69.84 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.291 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 602' ' ' VAL . . . . . 0.697 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.4 p -76.07 -40.55 37.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.76 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 603' ' ' CYS . . . . . 0.605 ' HB2' HD13 ' A' ' 607' ' ' ILE . 20.0 p -82.96 -26.37 31.42 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.375 -178.454 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 604' ' ' ASN . . . . . 0.618 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 40.0 t30 -49.51 -52.39 50.39 Favored Pre-proline 0 CA--C 1.541 0.621 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -176.596 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 605' ' ' PRO . . . . . 0.618 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 49.2 Cg_exo -60.63 -25.83 81.65 Favored 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 122.323 2.015 . . . . 0.0 112.307 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 606' ' ' ILE . . . . . 0.656 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -89.58 -41.15 13.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.288 -177.289 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 607' ' ' ILE . . . . . 0.612 ' N ' HG12 ' A' ' 606' ' ' ILE . 1.2 mp -68.56 -33.6 60.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.843 -179.449 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 8.4 p -70.23 -9.87 57.19 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.842 0.354 . . . . 0.0 110.789 177.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -112.15 7.56 27.05 Favored Glycine 0 N--CA 1.45 -0.418 0 N-CA-C 111.505 -0.638 . . . . 0.0 111.505 175.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 610' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 606' ' ' ILE . 58.7 mt . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.503 -0.76 . . . . 0.0 110.194 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.476 0.853 0 CA-C-O 120.616 0.246 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.509 ' O ' ' HB2' ' A' ' 542' ' ' LEU . . . -61.34 -26.52 67.87 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.066 -179.027 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 539' ' ' LYS . . . . . 0.453 ' HE2' ' HB3' ' A' ' 581' ' ' LEU . 13.4 tmtt? -60.86 -41.12 95.26 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 179.333 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -68.05 -47.07 69.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.703 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -62.61 -39.84 95.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.735 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.509 ' HB2' ' O ' ' A' ' 538' ' ' ALA . 0.2 OUTLIER -66.73 -47.32 72.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.011 -177.257 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -62.66 -48.1 80.81 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.26 -45.8 83.68 Favored 'General case' 0 C--O 1.213 -0.827 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.506 177.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 545' ' ' TYR . . . . . 0.455 ' O ' ' HG2' ' A' ' 549' ' ' MET . 3.5 t80 -59.49 -47.27 86.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 110.086 -176.303 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.63 -41.51 92.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.284 178.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -58.94 -43.62 91.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.311 174.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -59.74 -49.36 78.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.312 -178.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 549' ' ' MET . . . . . 0.455 ' HG2' ' O ' ' A' ' 545' ' ' TYR . 19.5 mmt -66.07 -44.59 84.07 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 121.279 0.561 . . . . 0.0 110.212 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 550' ' ' LYS . . . . . 0.604 ' HG3' HD23 ' A' ' 571' ' ' LEU . 3.5 ttmm -57.87 -45.93 85.59 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.268 177.166 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 16.4 t -66.84 -36.14 81.66 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.88 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -62.73 -45.78 91.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.527 -177.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 553' ' ' VAL . . . . . 0.851 HG11 HG11 ' A' ' 570' ' ' VAL . 33.2 m -76.63 -35.68 26.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.431 0.634 . . . . 0.0 111.362 -178.223 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 554' ' ' GLU . . . . . 0.686 ' HG2' HD11 ' A' ' 571' ' ' LEU . 0.2 OUTLIER -85.6 4.43 36.25 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.811 179.47 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 555' ' ' ASP . . . . . 0.469 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 12.8 t70 -69.23 136.78 52.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.559 172.082 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 556' ' ' GLU . . . . . 0.883 ' HA ' ' HD2' ' A' ' 559' ' ' LYS . 63.7 mm-40 -69.79 -10.93 60.26 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -173.233 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -101.61 -37.23 3.54 Favored Glycine 0 N--CA 1.441 -0.995 0 C-N-CA 119.766 -1.207 . . . . 0.0 111.119 176.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.935 HD23 ' HD2' ' A' ' 561' ' ' LYS . 15.7 mt -80.48 -14.47 58.24 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.817 0.341 . . . . 0.0 111.232 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 559' ' ' LYS . . . . . 0.883 ' HD2' ' HA ' ' A' ' 556' ' ' GLU . 15.4 ptmt -64.61 -22.6 67.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 178.635 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . -98.19 3.83 60.24 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.631 175.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 561' ' ' LYS . . . . . 0.935 ' HD2' HD23 ' A' ' 558' ' ' LEU . 78.3 mttt -104.94 -29.09 10.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.333 0.587 . . . . 0.0 110.461 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 562' ' ' ILE . . . . . 0.852 ' HB ' HD21 ' A' ' 610' ' ' LEU . 5.5 tt -106.22 153.49 7.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.175 179.005 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 563' ' ' SER . . . . . 0.427 ' HB3' ' OD2' ' A' ' 566' ' ' ASP . 42.0 t -76.68 146.69 37.93 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 175.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -56.03 -38.91 71.18 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.978 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -58.99 -43.03 91.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.024 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 566' ' ' ASP . . . . . 0.573 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 20.7 m-20 -70.47 -46.94 62.81 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 179.107 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.639 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 83.8 tttt -54.66 -48.8 71.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.005 177.65 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -62.6 -47.17 84.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.294 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 569' ' ' LYS . . . . . 0.573 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 19.1 pttt -66.29 -43.44 86.36 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.607 -173.656 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 570' ' ' VAL . . . . . 0.851 HG11 HG11 ' A' ' 553' ' ' VAL . 12.6 p -70.07 -40.48 78.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.883 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 571' ' ' LEU . . . . . 0.686 HD11 ' HG2' ' A' ' 554' ' ' GLU . 31.7 mt -60.14 -46.11 90.76 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.652 0.263 . . . . 0.0 110.688 177.697 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -64.64 -45.44 86.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.203 0.525 . . . . 0.0 109.777 -179.044 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 573' ' ' LYS . . . . . 0.601 ' O ' HG12 ' A' ' 577' ' ' VAL . 51.2 tptt -62.09 -41.01 97.75 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.854 177.653 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 574' ' ' CYS . . . . . 0.447 ' SG ' HD21 ' A' ' 599' ' ' LEU . 98.1 m -63.52 -39.56 94.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.704 177.657 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -63.47 -39.09 93.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.532 174.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 576' ' ' GLU . . . . . 0.425 ' HB3' ' O ' ' A' ' 573' ' ' LYS . 3.4 tt0 -58.87 -55.62 32.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.789 178.557 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 577' ' ' VAL . . . . . 0.601 HG12 ' O ' ' A' ' 573' ' ' LYS . 1.5 p -66.11 -41.48 89.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.45 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 578' ' ' ILE . . . . . 0.93 ' HA ' HD12 ' A' ' 581' ' ' LEU . 15.8 mt -61.07 -39.46 82.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.534 0.207 . . . . 0.0 111.415 -179.052 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 16.9 t -70.16 -34.82 73.49 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 175.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 82.7 t90 -67.09 -35.53 80.0 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.694 179.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 581' ' ' LEU . . . . . 0.93 HD12 ' HA ' ' A' ' 578' ' ' ILE . 31.6 mt -63.74 -48.1 78.39 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.333 178.681 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -68.86 -27.11 65.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.572 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -86.6 -32.21 20.75 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.858 -176.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -113.86 58.97 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.132 0.492 . . . . 0.0 111.009 -177.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 69.4 p -73.73 -12.44 60.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.943 0.878 . . . . 0.0 109.181 174.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 586' ' ' LEU . . . . . 0.502 HD22 ' N ' ' A' ' 586' ' ' LEU . 2.0 mm? -90.16 5.07 48.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.432 -1.258 . . . . 0.0 110.238 -179.278 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 587' ' ' ALA . . . . . 0.468 ' HB1' ' HB2' ' A' ' 591' ' ' GLU . . . -74.51 161.54 29.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.766 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -90.07 167.83 12.45 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 175.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -60.28 -39.19 86.02 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.682 0.753 . . . . 0.0 109.801 -175.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 590' ' ' ASP . . . . . 0.413 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 4.8 m-20 -61.78 -30.65 70.94 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.503 -1.226 . . . . 0.0 111.896 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 591' ' ' GLU . . . . . 0.468 ' HB2' ' HB1' ' A' ' 587' ' ' ALA . 12.1 mm-40 -63.83 -42.97 97.52 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.438 0.637 . . . . 0.0 109.314 178.276 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -66.15 -41.12 90.85 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.549 175.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 593' ' ' GLU . . . . . 0.444 ' HA ' ' OE1' ' A' ' 593' ' ' GLU . 5.0 mm-40 -59.51 -38.84 81.98 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.647 -179.14 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 594' ' ' HIS . . . . . 0.467 ' O ' ' HG3' ' A' ' 598' ' ' GLU . 29.1 m170 -68.53 -42.7 78.11 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 176.655 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 595' ' ' LYS . . . . . 0.435 ' HG2' HG23 ' A' ' 577' ' ' VAL . 11.4 tppt? -64.13 -35.53 81.08 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.212 179.288 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 596' ' ' ARG . . . . . 0.459 ' HB2' HD21 ' A' ' 542' ' ' LEU . 12.7 ttp85 -60.14 -37.23 79.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.407 176.665 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 597' ' ' LYS . . . . . 0.563 ' O ' ' HG2' ' A' ' 601' ' ' GLN . 43.8 mmtm -66.53 -46.36 76.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.385 173.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 598' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 594' ' ' HIS . 53.1 mt-10 -59.41 -55.82 29.79 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.555 0.693 . . . . 0.0 111.332 -177.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.705 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.6 tm? -59.07 -40.77 86.21 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.515 -179.606 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 600' ' ' GLU . . . . . 0.629 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 36.5 tt0 -59.79 -41.76 91.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.777 177.627 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 601' ' ' GLN . . . . . 0.563 ' HG2' ' O ' ' A' ' 597' ' ' LYS . 26.4 mm-40 -62.98 -30.94 71.98 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 179.144 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 602' ' ' VAL . . . . . 0.705 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.4 p -75.42 -40.4 42.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.928 178.163 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 603' ' ' CYS . . . . . 0.629 ' SG ' ' HA ' ' A' ' 600' ' ' GLU . 24.1 p -82.96 -27.08 30.75 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -177.522 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 604' ' ' ASN . . . . . 0.612 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 20.9 t30 -49.58 -54.02 35.16 Favored Pre-proline 0 N--CA 1.471 0.622 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -176.249 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 605' ' ' PRO . . . . . 0.612 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 47.3 Cg_exo -60.7 -24.22 78.13 Favored 'Trans proline' 0 C--N 1.356 0.93 0 C-N-CA 122.056 1.837 . . . . 0.0 112.324 179.592 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 606' ' ' ILE . . . . . 0.717 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -87.67 -40.83 14.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.888 -179.509 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 607' ' ' ILE . . . . . 0.625 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.4 mp -66.02 -27.72 41.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.673 177.251 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 33.4 t -65.03 -13.06 56.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.681 176.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -120.84 5.88 11.34 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.082 176.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 610' ' ' LEU . . . . . 0.852 HD21 ' HB ' ' A' ' 562' ' ' ILE . 68.4 mt . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.551 -179.318 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 35.6 m . . . . . 0 N--CA 1.476 0.867 0 CA-C-O 120.601 0.238 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 538' ' ' ALA . . . . . . . . . . . . . . . -61.54 -17.28 54.15 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.378 -177.047 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 539' ' ' LYS . . . . . 0.621 ' HG2' HD22 ' A' ' 581' ' ' LEU . 10.0 tmtt? -66.99 -39.79 87.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.757 0.313 . . . . 0.0 110.741 -177.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -64.42 -45.78 86.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.192 178.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 541' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' ' 545' ' ' TYR . . . -59.97 -45.25 93.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.626 176.418 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.687 HD21 ' HB2' ' A' ' 596' ' ' ARG . 0.2 OUTLIER -66.87 -48.45 68.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.847 -175.237 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 543' ' ' GLU . . . . . 0.586 ' CB ' HD13 ' A' ' 581' ' ' LEU . 17.5 tt0 -68.67 -41.04 79.81 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 -176.175 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 36.0 m -65.83 -35.49 80.81 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.241 176.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 545' ' ' TYR . . . . . 0.463 ' OH ' ' HG2' ' A' ' 600' ' ' GLU . 3.2 t80 -62.62 -49.44 75.18 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 177.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -66.18 -42.0 89.48 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.568 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -57.54 -41.85 81.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.428 174.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 51.3 m-20 -60.45 -50.16 74.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.914 -179.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 549' ' ' MET . . . . . 0.425 ' HG2' ' O ' ' A' ' 545' ' ' TYR . 18.2 mmt -66.94 -43.18 83.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.339 0.59 . . . . 0.0 110.016 -178.437 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 550' ' ' LYS . . . . . 0.564 ' HG3' HD23 ' A' ' 571' ' ' LEU . 3.4 ttmm -58.84 -48.55 80.93 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.285 176.41 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 5.3 t -65.85 -35.51 80.88 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.514 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -64.24 -45.94 85.97 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.987 0.365 . . . . 0.0 111.987 -178.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 553' ' ' VAL . . . . . 0.745 HG11 HG11 ' A' ' 570' ' ' VAL . 33.8 m -76.71 -32.83 21.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.391 0.615 . . . . 0.0 111.286 -179.261 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 554' ' ' GLU . . . . . 0.576 ' HG2' HD11 ' A' ' 571' ' ' LEU . 1.2 mm-40 -89.36 4.48 48.81 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.766 178.452 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 555' ' ' ASP . . . . . 0.626 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 18.1 t70 -65.12 137.58 57.75 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.557 177.137 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -71.62 -13.06 61.65 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.29 -177.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -101.98 -23.36 9.26 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 119.94 -1.124 . . . . 0.0 111.602 178.436 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.626 ' HB2' ' HB3' ' A' ' 555' ' ' ASP . 13.8 mt -93.06 -2.73 55.29 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.781 0.324 . . . . 0.0 111.279 177.614 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -68.67 120.8 15.23 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 174.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 109.25 -33.65 6.0 Favored Glycine 0 N--CA 1.448 -0.52 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 -172.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 561' ' ' LYS . . . . . 0.494 ' HG3' HD23 ' A' ' 558' ' ' LEU . 27.4 mmtt -65.87 -45.9 80.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.323 0.582 . . . . 0.0 110.851 176.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 562' ' ' ILE . . . . . 0.699 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.3 tt -105.66 147.37 11.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.355 -0.838 . . . . 0.0 110.157 -176.618 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 563' ' ' SER . . . . . 0.417 ' HB3' ' OD2' ' A' ' 566' ' ' ASP . 33.0 t -72.61 147.95 45.33 Favored 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 176.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -61.35 -31.37 71.25 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.58 -175.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -61.94 -43.62 98.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 123.211 0.319 . . . . 0.0 111.018 177.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 566' ' ' ASP . . . . . 0.44 ' HB3' ' HB ' ' A' ' 606' ' ' ILE . 13.4 m-20 -68.01 -46.52 71.0 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.53 0.681 . . . . 0.0 109.28 178.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 26.2 tttp -54.24 -48.72 70.8 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.624 -1.171 . . . . 0.0 111.161 175.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -63.3 -47.77 80.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.523 -178.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 569' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 17.8 ptmt -63.79 -44.57 92.95 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.208 -174.418 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 570' ' ' VAL . . . . . 0.745 HG11 HG11 ' A' ' 553' ' ' VAL . 11.1 p -70.5 -41.36 78.1 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.284 -179.094 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 571' ' ' LEU . . . . . 0.576 HD11 ' HG2' ' A' ' 554' ' ' GLU . 36.1 mt -60.29 -46.18 90.77 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.971 0.415 . . . . 0.0 110.353 177.689 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -60.29 -47.52 85.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.711 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 573' ' ' LYS . . . . . 0.6 ' CG ' HG11 ' A' ' 602' ' ' VAL . 50.1 tptt -66.21 -39.54 89.69 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.063 179.049 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 574' ' ' CYS . . . . . 0.441 ' SG ' HD21 ' A' ' 599' ' ' LEU . 97.9 m -62.23 -37.85 86.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.164 0.507 . . . . 0.0 110.09 176.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -65.79 -36.58 83.93 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.275 175.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -59.0 -56.07 27.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.586 176.532 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 577' ' ' VAL . . . . . 0.614 HG21 HD12 ' A' ' 542' ' ' LEU . 1.0 OUTLIER -65.05 -43.45 95.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.309 -179.284 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 578' ' ' ILE . . . . . 0.917 ' HA ' HD12 ' A' ' 581' ' ' LEU . 20.9 mt -61.35 -38.23 79.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -179.071 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 31.3 t -70.77 -33.51 70.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.171 0.51 . . . . 0.0 109.886 176.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 79.2 t90 -69.7 -38.55 76.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.654 178.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 581' ' ' LEU . . . . . 0.917 HD12 ' HA ' ' A' ' 578' ' ' ILE . 34.6 mt -60.93 -42.65 98.58 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.895 177.356 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -66.98 -30.85 71.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.155 -0.929 . . . . 0.0 110.327 178.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -84.38 -31.84 24.51 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.48 -177.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 584' ' ' ASN . . . . . 0.777 ' HB3' ' HB2' ' A' ' 587' ' ' ALA . 86.6 m-20 -124.1 55.18 1.3 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.473 -178.377 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -66.58 -19.15 65.71 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.833 178.254 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 586' ' ' LEU . . . . . 0.454 HD22 ' N ' ' A' ' 586' ' ' LEU . 1.5 mm? -104.53 7.22 35.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.192 -175.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 587' ' ' ALA . . . . . 0.777 ' HB2' ' HB3' ' A' ' 584' ' ' ASN . . . -57.02 158.38 5.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.666 -179.109 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -80.03 163.32 24.29 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.615 177.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -56.7 -45.84 81.58 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -170.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 590' ' ' ASP . . . . . 0.601 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 3.6 p30 -63.17 -27.03 69.09 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -178.078 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -61.48 -48.4 81.26 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 175.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 592' ' ' PHE . . . . . 0.442 ' CZ ' ' HB3' ' A' ' 587' ' ' ALA . 92.9 m-85 -66.88 -42.92 84.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.069 176.177 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 593' ' ' GLU . . . . . 0.601 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 10.0 mm-40 -59.69 -40.61 88.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.846 -176.349 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 27.9 m80 -67.38 -39.59 85.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.846 0.355 . . . . 0.0 110.345 175.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 595' ' ' LYS . . . . . 0.594 ' HA ' ' HE3' ' A' ' 595' ' ' LYS . 0.3 OUTLIER -62.55 -37.33 85.7 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.251 177.301 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 596' ' ' ARG . . . . . 0.687 ' HB2' HD21 ' A' ' 542' ' ' LEU . 31.0 ttp85 -60.01 -47.42 85.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.951 178.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 597' ' ' LYS . . . . . 0.587 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 25.6 mmmt -58.3 -44.62 88.65 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.756 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.28 -50.87 71.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.379 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.644 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.3 tm? -59.5 -41.7 90.46 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.72 -178.637 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 600' ' ' GLU . . . . . 0.662 ' HG3' ' O ' ' A' ' 596' ' ' ARG . 50.5 mt-10 -59.4 -38.74 81.33 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.012 177.666 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 601' ' ' GLN . . . . . 0.587 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 74.0 mt-30 -63.86 -37.24 86.66 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.625 0.232 . . . . 0.0 111.625 178.746 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 602' ' ' VAL . . . . . 0.644 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.7 p -73.92 -39.26 51.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.16 -177.182 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 603' ' ' CYS . . . . . 0.653 ' HB2' HD13 ' A' ' 607' ' ' ILE . 21.6 p -83.18 -25.96 31.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.599 -178.683 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 604' ' ' ASN . . . . . 0.617 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 17.2 t30 -49.19 -54.73 26.35 Favored Pre-proline 0 N--CA 1.475 0.796 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -176.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 605' ' ' PRO . . . . . 0.617 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 50.9 Cg_exo -58.95 -25.65 78.22 Favored 'Trans proline' 0 C--N 1.358 1.039 0 C-N-CA 122.152 1.901 . . . . 0.0 112.488 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 606' ' ' ILE . . . . . 0.699 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -89.42 -41.05 13.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.217 -177.444 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 607' ' ' ILE . . . . . 0.653 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.2 mp -68.38 -30.58 48.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 C-N-CA 123.131 0.572 . . . . 0.0 111.394 -177.685 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 4.6 t -64.54 -22.24 66.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.608 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -114.68 22.76 12.65 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.196 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 610' ' ' LEU . . . . . 0.558 HD21 ' HB ' ' A' ' 562' ' ' ILE . 33.9 mt . . . . . 0 C--O 1.251 1.155 0 CA-C-O 118.417 -0.802 . . . . 0.0 110.641 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 43.0 p . . . . . 0 N--CA 1.477 0.898 0 N-CA-C 110.605 -0.146 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 538' ' ' ALA . . . . . . . . . . . . . . . -59.86 -31.3 69.64 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.937 0.398 . . . . 0.0 110.108 176.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 539' ' ' LYS . . . . . 0.674 ' NZ ' ' HB3' ' A' ' 581' ' ' LEU . 3.3 tmtm? -56.53 -47.8 78.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.377 174.399 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -63.68 -47.03 82.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.829 -178.297 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 541' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' A' ' 545' ' ' TYR . . . -58.68 -42.26 88.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.763 178.317 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.766 HD12 HG21 ' A' ' 577' ' ' VAL . 0.5 OUTLIER -65.52 -47.09 77.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.052 -177.305 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 543' ' ' GLU . . . . . 0.829 ' HG3' HD13 ' A' ' 581' ' ' LEU . 5.2 tt0 -65.48 -47.43 76.1 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.204 -177.789 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 21.0 t -57.24 -43.7 83.18 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.723 176.332 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 545' ' ' TYR . . . . . 0.499 ' CD1' HD12 ' A' ' 599' ' ' LEU . 3.2 t80 -62.96 -48.6 78.17 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.15 0.5 . . . . 0.0 109.861 -177.248 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -64.85 -42.44 94.89 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.296 179.369 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.85 -42.1 83.77 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.433 174.227 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -59.76 -50.27 74.48 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.559 -178.193 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 549' ' ' MET . . . . . 0.462 ' HG3' ' CD1' ' A' ' 599' ' ' LEU . 22.3 mmt -67.14 -43.55 82.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.299 0.571 . . . . 0.0 110.506 -179.231 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 550' ' ' LYS . . . . . 0.643 ' HG3' HD23 ' A' ' 571' ' ' LEU . 4.7 ttmm -58.76 -47.42 84.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.815 177.548 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 7.6 t -66.34 -35.75 81.14 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.006 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -63.67 -46.3 86.21 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -177.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 553' ' ' VAL . . . . . 0.8 HG11 HG11 ' A' ' 570' ' ' VAL . 32.8 m -76.25 -31.81 21.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.639 0.733 . . . . 0.0 111.237 -178.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 554' ' ' GLU . . . . . 0.567 ' HG2' HD11 ' A' ' 571' ' ' LEU . 1.3 mm-40 -89.23 3.9 50.45 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.701 178.411 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 555' ' ' ASP . . . . . 0.53 ' O ' ' HG2' ' A' ' 559' ' ' LYS . 34.1 t70 -67.15 140.17 57.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.052 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 556' ' ' GLU . . . . . 0.447 ' HA ' ' HD3' ' A' ' 559' ' ' LYS . 5.4 pt-20 -69.48 -11.78 61.11 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.305 -0.861 . . . . 0.0 112.555 -175.543 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -101.79 -19.75 14.62 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.153 177.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.504 HD23 ' HG3' ' A' ' 561' ' ' LYS . 12.7 mt -101.87 5.09 40.83 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -177.748 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 559' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' A' ' 555' ' ' ASP . 12.3 mmmt -48.4 -46.91 37.88 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 123.452 0.701 . . . . 0.0 112.835 -172.559 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . -102.23 -2.93 51.24 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.228 -178.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 561' ' ' LYS . . . . . 0.504 ' HG3' HD23 ' A' ' 558' ' ' LEU . 58.6 mmtt -69.75 -37.79 76.57 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.939 0.4 . . . . 0.0 111.114 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 562' ' ' ILE . . . . . 0.773 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.9 tt -106.26 155.52 7.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.168 -179.282 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 563' ' ' SER . . . . . 0.471 ' HB2' ' OD2' ' A' ' 566' ' ' ASP . 4.8 m -74.24 149.79 40.62 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 178.056 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -56.57 -43.01 79.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.767 0.318 . . . . 0.0 110.435 -178.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -59.78 -43.7 94.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.776 -177.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 566' ' ' ASP . . . . . 0.648 ' HB3' ' HB ' ' A' ' 606' ' ' ILE . 22.4 m-20 -66.84 -47.13 72.92 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 121.197 0.522 . . . . 0.0 109.84 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.435 ' NZ ' ' HA ' ' A' ' 554' ' ' GLU . 30.0 tttp -54.43 -48.56 71.52 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.97 -1.013 . . . . 0.0 111.118 175.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -65.02 -46.71 80.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.581 -177.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 569' ' ' LYS . . . . . 0.526 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 0.0 OUTLIER -63.35 -44.21 95.48 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.343 -174.38 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 570' ' ' VAL . . . . . 0.8 HG11 HG11 ' A' ' 553' ' ' VAL . 11.5 p -70.48 -43.52 77.9 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.055 -178.676 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 571' ' ' LEU . . . . . 0.643 HD23 ' HG3' ' A' ' 550' ' ' LYS . 35.7 mt -57.36 -48.19 79.65 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.741 0.305 . . . . 0.0 110.633 178.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -66.03 -40.77 91.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.339 -176.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 573' ' ' LYS . . . . . 0.603 ' CG ' HG11 ' A' ' 602' ' ' VAL . 47.4 tptt -68.65 -38.71 80.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.8 177.239 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 574' ' ' CYS . . . . . 0.509 ' SG ' HD21 ' A' ' 599' ' ' LEU . 66.0 m -61.33 -40.14 93.12 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.043 0.449 . . . . 0.0 110.068 176.215 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -67.31 -35.73 80.03 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.232 175.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 576' ' ' GLU . . . . . 0.414 ' HB3' ' O ' ' A' ' 573' ' ' LYS . 0.1 OUTLIER -58.2 -55.02 40.36 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.302 176.712 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 577' ' ' VAL . . . . . 0.766 HG21 HD12 ' A' ' 542' ' ' LEU . 1.2 p -66.38 -40.12 85.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.275 179.08 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 578' ' ' ILE . . . . . 0.975 ' HA ' HD12 ' A' ' 581' ' ' LEU . 23.0 mt -61.82 -40.8 88.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.678 0.275 . . . . 0.0 111.293 179.148 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 32.6 t -71.73 -32.28 67.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.932 0.396 . . . . 0.0 110.225 175.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 56.5 t90 -67.57 -37.86 83.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.428 0.632 . . . . 0.0 109.385 177.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 581' ' ' LEU . . . . . 0.975 HD12 ' HA ' ' A' ' 578' ' ' ILE . 17.7 mt -60.53 -46.4 90.32 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.722 176.071 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -62.76 -31.23 72.15 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.476 178.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -85.8 -31.32 22.39 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.968 -1.014 . . . . 0.0 111.997 -175.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -128.47 65.75 1.4 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.518 -174.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 25.5 p -77.47 -12.22 59.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.967 0.889 . . . . 0.0 109.074 171.156 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 586' ' ' LEU . . . . . 0.547 HD22 ' N ' ' A' ' 586' ' ' LEU . 1.9 mm? -87.06 -4.71 59.18 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.011 -1.45 . . . . 0.0 110.087 -178.486 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 587' ' ' ALA . . . . . 0.429 ' HB1' ' HB2' ' A' ' 591' ' ' GLU . . . -66.43 154.68 39.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.859 -178.544 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -87.58 169.01 12.54 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.291 175.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -55.71 -43.37 76.45 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -171.035 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 590' ' ' ASP . . . . . 0.718 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 15.1 t70 -62.99 -28.23 69.95 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -176.626 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 591' ' ' GLU . . . . . 0.429 ' HB2' ' HB1' ' A' ' 587' ' ' ALA . 10.1 mm-40 -61.3 -44.79 96.62 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.36 0.6 . . . . 0.0 109.462 174.113 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 592' ' ' PHE . . . . . 0.547 ' O ' HD21 ' A' ' 542' ' ' LEU . 77.3 m-85 -70.42 -41.16 73.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.733 176.726 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 593' ' ' GLU . . . . . 0.718 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 34.6 mm-40 -58.48 -44.94 89.52 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.32 -177.259 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 10.3 m80 -69.34 -36.28 76.76 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.831 176.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 595' ' ' LYS . . . . . 0.441 ' HD3' ' HA ' ' A' ' 595' ' ' LYS . 6.3 tppt? -64.41 -36.58 84.61 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.148 0.499 . . . . 0.0 110.224 177.288 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 596' ' ' ARG . . . . . 0.733 ' HB2' HD21 ' A' ' 542' ' ' LEU . 54.3 ttp85 -60.69 -38.61 85.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.369 176.645 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 597' ' ' LYS . . . . . 0.666 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 71.7 mmtt -67.4 -45.06 77.27 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.655 176.183 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -59.47 -52.07 67.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.426 0.632 . . . . 0.0 111.128 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.684 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.4 tm? -60.36 -39.76 88.32 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.584 -179.4 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 600' ' ' GLU . . . . . 0.592 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 39.6 tt0 -60.56 -39.04 86.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.18 177.335 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 601' ' ' GLN . . . . . 0.666 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 69.2 mt-30 -68.8 -32.2 71.75 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 179.258 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 602' ' ' VAL . . . . . 0.684 HG12 ' O ' ' A' ' 599' ' ' LEU . 2.5 p -75.48 -37.32 37.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.261 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 603' ' ' CYS . . . . . 0.659 ' HB2' HD13 ' A' ' 607' ' ' ILE . 27.4 p -83.08 -26.37 31.15 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.64 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 604' ' ' ASN . . . . . 0.625 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 26.2 t30 -49.9 -53.05 46.61 Favored Pre-proline 0 N--CA 1.474 0.741 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 -175.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 605' ' ' PRO . . . . . 0.625 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 51.5 Cg_exo -58.98 -27.11 83.97 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 122.206 1.938 . . . . 0.0 112.074 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 606' ' ' ILE . . . . . 0.773 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -87.33 -41.58 14.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.315 -177.857 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 607' ' ' ILE . . . . . 0.659 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -67.24 -34.36 68.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 C-N-CA 122.975 0.51 . . . . 0.0 111.005 -178.455 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 7.9 p -69.46 -17.54 63.64 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.88 0.372 . . . . 0.0 110.99 178.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -106.31 13.23 43.96 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.027 -0.606 . . . . 0.0 111.768 176.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 610' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 606' ' ' ILE . 36.6 mt . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.533 -0.746 . . . . 0.0 110.452 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 28.4 m . . . . . 0 N--CA 1.478 0.959 0 CA-C-O 120.482 0.182 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.561 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . -65.31 -35.36 80.77 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.348 179.294 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 539' ' ' LYS . . . . . 0.574 ' HG2' HD22 ' A' ' 581' ' ' LEU . 11.5 tmtt? -68.53 -42.52 78.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.587 0.708 . . . . 0.0 109.648 178.673 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -58.18 -47.47 83.3 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.191 178.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -66.03 -43.54 87.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.668 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.687 HD21 ' HB2' ' A' ' 596' ' ' ARG . 0.4 OUTLIER -60.37 -46.86 88.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.502 -178.21 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 543' ' ' GLU . . . . . 0.479 ' HG3' HD13 ' A' ' 581' ' ' LEU . 3.2 tt0 -64.4 -48.95 73.46 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.52 -177.727 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 544' ' ' SER . . . . . 0.578 ' O ' ' HB2' ' A' ' 548' ' ' ASN . 12.5 m -61.79 -33.74 74.65 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.485 178.454 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 545' ' ' TYR . . . . . 0.564 ' CD1' HD12 ' A' ' 599' ' ' LEU . 2.2 t80 -67.02 -50.15 63.02 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -66.1 -44.65 83.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.725 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -56.98 -38.59 73.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.275 175.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 548' ' ' ASN . . . . . 0.578 ' HB2' ' O ' ' A' ' 544' ' ' SER . 20.8 t-20 -66.52 -50.1 64.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.946 -177.005 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 549' ' ' MET . . . . . 0.449 ' HG2' ' O ' ' A' ' 545' ' ' TYR . 22.4 mmt -63.62 -41.67 98.27 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.419 0.628 . . . . 0.0 110.037 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 550' ' ' LYS . . . . . 0.606 ' HG3' HD23 ' A' ' 571' ' ' LEU . 4.8 ttmm -61.06 -43.93 98.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.896 177.659 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 73.7 m -66.54 -36.94 83.92 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 177.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -67.17 -46.29 74.45 Favored 'General case' 0 C--O 1.225 -0.231 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -175.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 553' ' ' VAL . . . . . 0.841 HG11 HG11 ' A' ' 570' ' ' VAL . 34.8 m -74.58 -35.33 37.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.493 0.663 . . . . 0.0 110.833 -178.537 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 554' ' ' GLU . . . . . 0.591 ' HB2' ' O ' ' A' ' 550' ' ' LYS . 2.0 mm-40 -83.67 3.53 32.56 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.362 -179.645 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 555' ' ' ASP . . . . . 0.602 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 26.5 t70 -67.0 137.09 56.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.969 174.176 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -10.82 59.73 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -174.688 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -101.64 -42.41 2.32 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.272 -0.966 . . . . 0.0 111.063 174.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.913 HD23 ' HD3' ' A' ' 561' ' ' LYS . 10.6 mt -75.0 -12.41 60.32 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -67.79 -11.49 58.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.879 0.371 . . . . 0.0 110.422 175.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . -101.2 -3.84 53.94 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.885 175.259 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 561' ' ' LYS . . . . . 0.913 ' HD3' HD23 ' A' ' 558' ' ' LEU . 5.2 mptt -100.26 -32.25 10.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.983 0.42 . . . . 0.0 110.703 178.593 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 562' ' ' ILE . . . . . 0.829 ' HB ' HD21 ' A' ' 610' ' ' LEU . 5.2 tt -106.07 152.54 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.508 -178.649 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 7.3 m -81.87 157.52 24.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.566 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -54.21 -49.27 69.79 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 120.944 0.402 . . . . 0.0 111.042 -177.025 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -57.41 -43.29 83.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.071 -175.138 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 566' ' ' ASP . . . . . 0.629 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 21.6 m-20 -69.15 -48.24 62.87 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 121.213 0.53 . . . . 0.0 110.173 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.635 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 84.3 tttt -54.32 -48.1 71.75 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.905 176.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -66.65 -44.02 83.02 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.678 -178.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 569' ' ' LYS . . . . . 0.629 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 18.5 ptmt -65.32 -43.03 92.28 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 -174.708 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 570' ' ' VAL . . . . . 0.841 HG11 HG11 ' A' ' 553' ' ' VAL . 12.7 p -70.41 -40.61 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.832 -179.314 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 571' ' ' LEU . . . . . 0.606 HD23 ' HG3' ' A' ' 550' ' ' LYS . 33.0 mt -60.11 -49.09 79.03 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.809 0.338 . . . . 0.0 110.723 177.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -63.04 -44.7 95.17 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.935 -179.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 573' ' ' LYS . . . . . 0.6 ' HG2' HG11 ' A' ' 602' ' ' VAL . 50.0 tptt -62.48 -43.01 99.86 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.975 177.178 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 574' ' ' CYS . . . . . 0.427 ' SG ' HD21 ' A' ' 599' ' ' LEU . 61.9 m -58.39 -38.95 78.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.973 0.416 . . . . 0.0 110.831 175.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.01 -36.45 83.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.841 176.385 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -59.52 -56.51 21.09 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.871 0.367 . . . . 0.0 110.68 177.005 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 577' ' ' VAL . . . . . 0.671 HG21 HD12 ' A' ' 542' ' ' LEU . 0.7 OUTLIER -61.84 -45.73 98.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.093 -179.617 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 578' ' ' ILE . . . . . 0.973 ' HA ' HD12 ' A' ' 581' ' ' LEU . 27.6 mt -60.35 -41.24 86.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.693 0.282 . . . . 0.0 111.216 -178.509 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 47.4 t -65.35 -34.91 79.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.1 0.476 . . . . 0.0 110.554 176.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 86.5 t90 -74.15 -36.06 64.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.078 -178.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 581' ' ' LEU . . . . . 0.973 HD12 ' HA ' ' A' ' 578' ' ' ILE . 36.7 mt -59.26 -45.28 91.63 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.984 178.442 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -71.23 -25.8 62.65 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.793 179.057 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -87.13 -32.09 20.06 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.045 -176.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -123.54 48.4 1.86 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.08 0.467 . . . . 0.0 110.157 -179.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.76 -24.16 65.52 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.631 178.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -92.65 6.01 48.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.74 -175.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 587' ' ' ALA . . . . . 0.446 ' HB3' ' CE2' ' A' ' 592' ' ' PHE . . . -63.39 158.19 21.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.138 0.494 . . . . 0.0 110.364 176.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -84.33 171.51 12.61 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.654 176.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 589' ' ' LYS . . . . . 0.601 ' HG3' ' N ' ' A' ' 590' ' ' ASP . 28.5 pttt -56.8 -44.14 81.62 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.154 0.284 . . . . 0.0 111.238 -170.148 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 590' ' ' ASP . . . . . 0.601 ' N ' ' HG3' ' A' ' 589' ' ' LYS . 13.9 m-20 -63.73 -27.57 69.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.991 -0.549 . . . . 0.0 112.136 -173.192 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -65.57 -43.98 88.12 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 177.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 592' ' ' PHE . . . . . 0.561 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 83.7 m-85 -73.03 -37.56 66.85 Favored 'General case' 0 C--O 1.216 -0.675 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.187 176.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 593' ' ' GLU . . . . . 0.543 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 6.2 mm-40 -59.45 -38.16 80.04 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.976 0.417 . . . . 0.0 111.108 -178.299 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -72.25 -39.52 68.36 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.445 174.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 595' ' ' LYS . . . . . 0.618 ' HG2' HG23 ' A' ' 577' ' ' VAL . 0.4 OUTLIER -59.19 -36.8 76.01 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 121.128 0.49 . . . . 0.0 109.689 175.404 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 596' ' ' ARG . . . . . 0.687 ' HB2' HD21 ' A' ' 542' ' ' LEU . 18.4 ttp85 -61.07 -45.61 94.05 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.522 177.612 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 597' ' ' LYS . . . . . 0.555 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 45.5 mmtt -66.35 -39.52 89.23 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.38 177.408 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 598' ' ' GLU . . . . . 0.553 ' HB3' ' NZ ' ' A' ' 573' ' ' LYS . 32.0 mm-40 -59.64 -51.81 68.23 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.232 0.539 . . . . 0.0 110.903 177.374 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.712 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.3 tm? -66.29 -41.68 89.45 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.525 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 600' ' ' GLU . . . . . 0.503 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 30.8 tt0 -55.59 -48.65 74.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.444 178.139 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 601' ' ' GLN . . . . . 0.555 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 82.0 mt-30 -69.85 -22.43 63.27 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -177.652 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 602' ' ' VAL . . . . . 0.712 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.1 p -75.54 -41.45 41.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.327 174.419 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 603' ' ' CYS . . . . . 0.606 ' HB2' HD13 ' A' ' 607' ' ' ILE . 14.6 p -82.68 -27.17 31.45 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.653 -177.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 604' ' ' ASN . . . . . 0.62 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 43.8 t30 -50.46 -51.72 61.76 Favored Pre-proline 0 N--CA 1.47 0.568 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -175.691 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 605' ' ' PRO . . . . . 0.62 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 53.2 Cg_exo -60.29 -30.54 91.32 Favored 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 122.161 1.908 . . . . 0.0 112.032 179.317 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 606' ' ' ILE . . . . . 0.707 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -82.06 -40.51 17.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.907 -178.74 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 607' ' ' ILE . . . . . 0.606 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -66.76 -32.09 56.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.396 178.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 23.0 t -66.25 -17.8 64.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.237 177.277 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -107.67 2.89 34.18 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 121.139 -0.553 . . . . 0.0 112.137 177.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 610' ' ' LEU . . . . . 0.829 HD21 ' HB ' ' A' ' 562' ' ' ILE . 66.0 mt . . . . . 0 C--O 1.247 0.926 0 CA-C-O 119.023 -0.513 . . . . 0.0 110.226 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 19.0 m . . . . . 0 N--CA 1.477 0.881 0 CA-C-O 121.083 0.468 . . . . 0.0 110.676 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 538' ' ' ALA . . . . . . . . . . . . . . . -68.37 -24.47 64.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.952 -178.228 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -63.59 -40.11 96.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.133 0.492 . . . . 0.0 110.063 178.063 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -62.11 -46.76 87.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.394 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 541' ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' A' ' 545' ' ' TYR . . . -61.52 -40.08 93.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.611 176.044 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.482 ' HB3' HD21 ' A' ' 581' ' ' LEU . 0.2 OUTLIER -71.96 -48.38 45.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.92 -174.146 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 543' ' ' GLU . . . . . 0.493 ' CB ' HD13 ' A' ' 581' ' ' LEU . 9.7 tt0 -68.41 -38.98 81.76 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -175.617 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 22.9 m -66.95 -37.04 83.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.175 176.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 545' ' ' TYR . . . . . 0.433 ' HB2' ' O ' ' A' ' 541' ' ' ALA . 2.4 t80 -64.24 -49.32 72.38 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.358 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.58 -41.39 92.95 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.965 0.412 . . . . 0.0 110.285 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -58.25 -41.53 84.44 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.633 174.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 -61.09 -49.62 76.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.998 -178.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 549' ' ' MET . . . . . 0.519 ' HG3' ' CD1' ' A' ' 599' ' ' LEU . 19.2 mmt -65.83 -43.29 88.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.347 0.594 . . . . 0.0 110.228 -179.137 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 550' ' ' LYS . . . . . 0.626 ' HG3' HD23 ' A' ' 571' ' ' LEU . 4.1 ttmm -59.46 -46.03 89.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.023 176.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 10.4 t -65.97 -35.85 81.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.923 179.219 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -63.96 -46.14 86.01 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -177.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 553' ' ' VAL . . . . . 0.794 HG11 HG11 ' A' ' 570' ' ' VAL . 34.9 m -76.73 -35.16 24.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.333 0.587 . . . . 0.0 111.059 -178.698 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 554' ' ' GLU . . . . . 0.595 ' HA ' ' HE3' ' A' ' 567' ' ' LYS . 0.7 OUTLIER -86.4 4.38 39.71 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.366 179.473 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 555' ' ' ASP . . . . . 0.598 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 21.4 t70 -65.04 136.86 57.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.826 175.232 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 556' ' ' GLU . . . . . 0.612 ' HA ' ' HE3' ' A' ' 559' ' ' LYS . 10.3 pt-20 -69.96 -12.05 61.33 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -174.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -100.61 -36.18 4.12 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.488 -0.863 . . . . 0.0 111.304 177.005 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.679 ' HA ' ' HG3' ' A' ' 561' ' ' LYS . 25.3 mt -81.44 -12.17 59.0 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 179.398 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 559' ' ' LYS . . . . . 0.612 ' HE3' ' HA ' ' A' ' 556' ' ' GLU . 22.1 pttp -70.39 111.29 5.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.464 0.649 . . . . 0.0 109.25 173.198 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 116.02 -27.4 8.23 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 -171.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 561' ' ' LYS . . . . . 0.679 ' HG3' ' HA ' ' A' ' 558' ' ' LEU . 31.0 mmtm -75.14 -38.07 61.16 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 171.427 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 562' ' ' ILE . . . . . 0.696 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.7 tt -106.8 152.24 8.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 CA-C-N 114.82 -1.082 . . . . 0.0 109.666 177.395 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.15 154.64 24.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.626 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 564' ' ' GLU . . . . . 0.585 ' HB3' ' HE2' ' A' ' 568' ' ' LYS . 32.4 mt-10 -54.51 -46.06 73.42 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 120.434 0.159 . . . . 0.0 111.337 -173.54 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -57.63 -42.88 84.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.773 -175.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 566' ' ' ASP . . . . . 0.508 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 1.6 m-20 -67.88 -48.73 65.26 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.126 0.489 . . . . 0.0 109.746 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.666 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 84.1 tttt -54.81 -48.06 73.25 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.162 -0.927 . . . . 0.0 110.927 176.17 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 568' ' ' LYS . . . . . 0.585 ' HE2' ' HB3' ' A' ' 564' ' ' GLU . 63.5 mttm -59.75 -50.37 74.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 569' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 0.0 OUTLIER -64.36 -43.08 95.67 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.664 -172.022 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 570' ' ' VAL . . . . . 0.794 HG11 HG11 ' A' ' 553' ' ' VAL . 13.6 p -70.31 -43.11 78.74 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.016 -179.201 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 571' ' ' LEU . . . . . 0.626 HD23 ' HG3' ' A' ' 550' ' ' LYS . 41.7 mt -58.47 -48.58 80.3 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.086 0.469 . . . . 0.0 110.333 177.361 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 572' ' ' ASP . . . . . 0.412 ' O ' ' HG3' ' A' ' 576' ' ' GLU . 34.1 t70 -61.1 -47.06 88.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.574 -178.599 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 573' ' ' LYS . . . . . 0.566 ' O ' HG12 ' A' ' 577' ' ' VAL . 44.5 tptt -64.03 -40.23 95.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.093 177.247 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 574' ' ' CYS . . . . . 0.53 ' SG ' HD21 ' A' ' 599' ' ' LEU . 97.3 m -61.73 -38.87 89.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.926 0.393 . . . . 0.0 110.114 177.285 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.66 -37.02 85.34 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.739 176.047 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 576' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 572' ' ' ASP . 47.8 mt-10 -59.55 -55.58 32.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.963 0.411 . . . . 0.0 110.442 177.744 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 577' ' ' VAL . . . . . 0.566 HG12 ' O ' ' A' ' 573' ' ' LYS . 1.5 p -66.93 -40.5 85.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.647 -179.309 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 578' ' ' ILE . . . . . 0.91 ' HA ' HD12 ' A' ' 581' ' ' LEU . 19.0 mt -61.4 -38.3 79.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.866 0.365 . . . . 0.0 111.023 178.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 24.4 m -71.72 -27.01 62.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.134 0.492 . . . . 0.0 110.509 175.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 84.9 t90 -74.36 -37.62 63.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.561 177.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 581' ' ' LEU . . . . . 0.91 HD12 ' HA ' ' A' ' 578' ' ' ILE . 34.6 mt -61.15 -40.76 95.08 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.385 176.246 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -71.29 -24.19 62.1 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.809 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -95.8 -32.32 12.75 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.846 -175.277 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -114.39 47.96 1.17 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.207 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.71 -19.56 59.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.135 178.049 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -97.07 5.99 49.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.265 -177.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -66.09 162.03 20.46 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.999 0.428 . . . . 0.0 110.267 176.124 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -106.52 -177.33 3.33 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.271 177.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 589' ' ' LYS . . . . . 0.414 ' O ' ' HG3' ' A' ' 593' ' ' GLU . 0.0 OUTLIER -56.16 -48.27 76.62 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.329 0.862 . . . . 0.0 113.329 -165.573 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 590' ' ' ASP . . . . . 0.475 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 0.9 OUTLIER -68.63 -25.53 64.89 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 113.353 0.872 . . . . 0.0 113.353 -175.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -60.76 -45.9 92.53 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 173.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 592' ' ' PHE . . . . . 0.437 ' O ' HD21 ' A' ' 542' ' ' LEU . 92.9 m-85 -71.74 -45.71 60.86 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.517 179.133 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 593' ' ' GLU . . . . . 0.475 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 46.7 mt-10 -59.1 -40.0 83.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.751 0.31 . . . . 0.0 111.103 -176.293 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -69.21 -38.68 78.71 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.262 175.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 595' ' ' LYS . . . . . 0.435 ' HD3' ' HA ' ' A' ' 595' ' ' LYS . 12.6 tppt? -64.09 -35.41 80.67 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 120.899 0.38 . . . . 0.0 110.381 177.486 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 596' ' ' ARG . . . . . 0.66 ' O ' ' HG3' ' A' ' 600' ' ' GLU . 10.1 ttm180 -58.49 -47.64 83.43 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.273 177.662 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 597' ' ' LYS . . . . . 0.581 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 26.6 mmmt -55.98 -42.02 75.7 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.818 177.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 598' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 595' ' ' LYS . 12.8 mm-40 -59.61 -53.12 61.72 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 121.847 0.832 . . . . 0.0 111.009 178.285 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.64 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.4 tm? -59.05 -43.85 91.73 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.881 -1.054 . . . . 0.0 109.692 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 600' ' ' GLU . . . . . 0.66 ' HG3' ' O ' ' A' ' 596' ' ' ARG . 34.8 mt-10 -57.27 -38.14 73.46 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.353 179.069 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 601' ' ' GLN . . . . . 0.581 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 77.8 mt-30 -68.18 -31.83 71.65 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 602' ' ' VAL . . . . . 0.64 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.3 p -74.39 -38.9 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.858 178.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 603' ' ' CYS . . . . . 0.693 ' HB2' HD13 ' A' ' 607' ' ' ILE . 24.6 p -84.28 -25.93 28.97 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.375 -177.729 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 604' ' ' ASN . . . . . 0.623 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 23.1 t30 -49.1 -54.17 31.43 Favored Pre-proline 0 N--CA 1.474 0.727 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -176.463 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 605' ' ' PRO . . . . . 0.623 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 52.0 Cg_exo -59.17 -24.84 75.75 Favored 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 122.084 1.856 . . . . 0.0 112.45 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 606' ' ' ILE . . . . . 0.696 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -90.61 -40.76 12.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.437 -177.901 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 607' ' ' ILE . . . . . 0.693 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.2 mp -65.37 -26.94 40.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.951 -179.112 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 8.4 t -62.68 -15.92 54.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.743 178.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -120.83 11.08 10.19 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.602 178.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 610' ' ' LEU . . . . . 0.657 HD22 HD22 ' A' ' 558' ' ' LEU . 62.1 mt . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.522 -0.751 . . . . 0.0 110.61 -178.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 4.6 p . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.795 0.331 . . . . 0.0 111.393 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.545 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . -64.19 -25.34 68.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.731 -177.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 539' ' ' LYS . . . . . 0.561 ' NZ ' ' HB3' ' A' ' 581' ' ' LEU . 2.4 tmtm? -65.46 -48.78 71.49 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.357 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -59.77 -47.27 86.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.434 178.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -59.31 -44.52 92.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.14 178.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 542' ' ' LEU . . . . . 0.7 HD21 ' HB2' ' A' ' 596' ' ' ARG . 0.2 OUTLIER -66.83 -46.9 73.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.482 -176.167 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 543' ' ' GLU . . . . . 0.965 ' HG3' HD13 ' A' ' 581' ' ' LEU . 4.2 tt0 -66.0 -45.44 81.54 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.691 -178.05 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 544' ' ' SER . . . . . 0.487 ' O ' ' HB2' ' A' ' 548' ' ' ASN . 9.4 t -61.81 -34.4 75.86 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 177.325 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 545' ' ' TYR . . . . . 0.48 ' O ' ' HG2' ' A' ' 549' ' ' MET . 3.5 t80 -67.62 -50.05 59.98 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 -179.319 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -66.36 -42.5 87.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.504 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -57.98 -40.06 79.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.553 175.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 548' ' ' ASN . . . . . 0.487 ' HB2' ' O ' ' A' ' 544' ' ' SER . 30.1 t-20 -65.64 -49.51 68.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.154 -176.228 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 549' ' ' MET . . . . . 0.48 ' HG2' ' O ' ' A' ' 545' ' ' TYR . 16.5 mmt -63.99 -43.53 95.43 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 121.553 0.692 . . . . 0.0 109.723 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 550' ' ' LYS . . . . . 0.619 ' HG3' HD23 ' A' ' 571' ' ' LEU . 3.4 ttmm -57.72 -46.81 83.9 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.72 -1.127 . . . . 0.0 111.306 176.001 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 69.0 m -65.93 -35.78 81.55 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.73 178.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -66.04 -46.1 79.03 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -177.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 553' ' ' VAL . . . . . 0.834 HG11 HG11 ' A' ' 570' ' ' VAL . 33.8 m -75.67 -31.09 22.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.468 0.651 . . . . 0.0 111.255 -178.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 554' ' ' GLU . . . . . 0.64 ' HA ' ' NZ ' ' A' ' 567' ' ' LYS . 0.1 OUTLIER -86.63 5.47 35.72 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.818 178.357 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 555' ' ' ASP . . . . . 0.435 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 31.9 t70 -76.48 129.26 36.25 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.479 174.564 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 556' ' ' GLU . . . . . 0.466 ' O ' ' HG2' ' A' ' 559' ' ' LYS . 62.5 mm-40 -71.31 -5.03 29.28 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -178.341 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 557' ' ' GLY . . . . . 0.451 ' O ' ' HE3' ' A' ' 561' ' ' LYS . . . -96.79 -30.41 7.58 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.165 -1.017 . . . . 0.0 110.789 174.583 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 558' ' ' LEU . . . . . 0.918 HD23 ' HD2' ' A' ' 561' ' ' LYS . 2.0 mt -86.95 0.55 54.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.238 -0.481 . . . . 0.0 111.431 179.137 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 559' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' ' 556' ' ' GLU . 20.9 ptmt -64.34 132.92 51.55 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 173.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 94.31 -33.5 5.24 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.491 -0.861 . . . . 0.0 111.559 -176.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 561' ' ' LYS . . . . . 0.918 ' HD2' HD23 ' A' ' 558' ' ' LEU . 81.5 mttt -67.73 -36.77 81.19 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 176.222 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 562' ' ' ILE . . . . . 0.646 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.5 tt -113.34 148.23 16.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.572 176.114 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.11 143.83 47.21 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 173.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -60.14 -30.85 69.57 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.327 -175.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.89 97.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.629 0.252 . . . . 0.0 111.129 176.276 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 566' ' ' ASP . . . . . 0.503 ' O ' HG12 ' A' ' 570' ' ' VAL . 3.4 m-20 -67.77 -43.66 79.3 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 177.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 567' ' ' LYS . . . . . 0.64 ' NZ ' ' HA ' ' A' ' 554' ' ' GLU . 27.8 tttp -54.05 -48.97 70.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.586 174.715 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -65.23 -46.23 81.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.711 -178.369 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 569' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 17.7 pttt -66.24 -42.6 88.37 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.62 -0.263 . . . . 0.0 110.591 -174.548 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 570' ' ' VAL . . . . . 0.834 HG11 HG11 ' A' ' 553' ' ' VAL . 14.0 p -70.01 -40.25 78.33 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.84 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 571' ' ' LEU . . . . . 0.619 HD23 ' HG3' ' A' ' 550' ' ' LYS . 31.9 mt -59.03 -48.14 82.66 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.957 0.408 . . . . 0.0 110.091 176.55 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -62.87 -46.14 89.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.621 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 573' ' ' LYS . . . . . 0.599 ' CG ' HG11 ' A' ' 602' ' ' VAL . 50.2 tptt -62.45 -41.07 98.48 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.862 177.143 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 574' ' ' CYS . . . . . 0.446 ' SG ' HD21 ' A' ' 599' ' ' LEU . 95.5 m -61.17 -38.21 85.65 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.365 175.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -65.12 -36.64 84.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.034 175.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 576' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' ' 573' ' ' LYS . 60.8 mt-10 -58.38 -56.13 26.04 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.287 0.565 . . . . 0.0 110.829 176.407 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 577' ' ' VAL . . . . . 0.611 HG21 HD12 ' A' ' 542' ' ' LEU . 1.3 p -66.12 -39.88 85.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.414 -178.521 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 578' ' ' ILE . . . . . 0.936 ' HA ' HD12 ' A' ' 581' ' ' LEU . 19.2 mt -64.23 -39.21 84.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 CA-C-O 120.696 0.284 . . . . 0.0 111.643 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 36.0 p -72.12 -32.84 67.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.944 0.402 . . . . 0.0 110.465 175.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 59.3 t90 -65.97 -40.88 91.63 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-O 121.583 0.706 . . . . 0.0 109.105 176.099 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 581' ' ' LEU . . . . . 0.965 HD13 ' HG3' ' A' ' 543' ' ' GLU . 15.8 mt -57.67 -44.29 85.63 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.34 178.123 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -69.33 -27.66 65.56 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.986 178.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -89.32 -32.35 17.38 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.949 -175.215 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -112.35 57.48 0.65 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.032 -178.552 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 4.1 p -68.77 -19.62 64.33 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.628 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -96.11 5.84 50.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.964 0.412 . . . . 0.0 110.818 -177.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 587' ' ' ALA . . . . . 0.432 ' HB1' ' HB2' ' A' ' 591' ' ' GLU . . . -65.62 153.17 42.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.737 177.613 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -95.51 175.5 6.54 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.385 176.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 589' ' ' LYS . . . . . 0.509 ' O ' ' HG3' ' A' ' 593' ' ' GLU . 19.2 pttp -55.56 -45.16 77.31 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -167.498 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 590' ' ' ASP . . . . . 0.602 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 8.5 p-10 -65.41 -26.38 67.96 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.532 0.568 . . . . 0.0 112.532 -175.653 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 591' ' ' GLU . . . . . 0.432 ' HB2' ' HB1' ' A' ' 587' ' ' ALA . 22.9 mm-40 -60.75 -43.93 97.33 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 172.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 592' ' ' PHE . . . . . 0.545 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 70.2 m-85 -70.53 -44.48 67.44 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.705 176.044 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 593' ' ' GLU . . . . . 0.602 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 44.1 mt-10 -60.11 -39.71 87.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.368 -176.361 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 594' ' ' HIS . . . . . 0.417 ' O ' ' HG3' ' A' ' 598' ' ' GLU . 18.2 m80 -70.45 -37.56 74.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.844 0.354 . . . . 0.0 110.464 175.479 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 595' ' ' LYS . . . . . 0.427 ' HA ' ' HE3' ' A' ' 595' ' ' LYS . 0.3 OUTLIER -65.15 -35.83 82.33 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.576 0.703 . . . . 0.0 109.414 177.504 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 596' ' ' ARG . . . . . 0.7 ' HB2' HD21 ' A' ' 542' ' ' LEU . 15.1 ttp85 -60.63 -40.45 91.97 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 114.675 -1.148 . . . . 0.0 109.526 178.432 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 597' ' ' LYS . . . . . 0.526 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 48.6 mmtm -58.57 -46.69 86.37 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.278 175.513 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 598' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 594' ' ' HIS . 58.8 mt-10 -60.44 -57.25 13.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.541 -178.195 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 599' ' ' LEU . . . . . 0.673 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.5 tm? -58.54 -41.69 86.13 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.835 -178.146 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 600' ' ' GLU . . . . . 0.578 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 25.1 tt0 -59.57 -38.63 81.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.008 179.195 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 601' ' ' GLN . . . . . 0.526 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 84.2 mt-30 -69.58 -28.82 66.29 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 178.179 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 602' ' ' VAL . . . . . 0.673 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.4 p -75.0 -39.35 44.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.508 178.296 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 603' ' ' CYS . . . . . 0.674 ' HB2' HD13 ' A' ' 607' ' ' ILE . 21.4 p -83.96 -28.17 27.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.949 -177.366 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 604' ' ' ASN . . . . . 0.624 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 23.1 t30 -50.5 -54.35 36.12 Favored Pre-proline 0 N--CA 1.472 0.652 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -176.513 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 605' ' ' PRO . . . . . 0.624 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 45.4 Cg_exo -61.38 -20.34 67.94 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 122.326 2.017 . . . . 0.0 112.834 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 606' ' ' ILE . . . . . 0.675 ' O ' HD13 ' A' ' 610' ' ' LEU . 0.0 OUTLIER -91.72 -41.0 12.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.23 -178.899 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 607' ' ' ILE . . . . . 0.674 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.1 mp -63.86 -17.69 20.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 C-N-CA 123.653 0.781 . . . . 0.0 112.079 -174.549 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 5.2 p -67.52 -1.4 4.92 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -178.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -131.66 16.41 5.09 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 110.424 -1.07 . . . . 0.0 110.424 176.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 610' ' ' LEU . . . . . 0.776 ' HG ' HD22 ' A' ' 558' ' ' LEU . 10.6 mp . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.33 -0.843 . . . . 0.0 110.309 -174.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 538' ' ' ALA . . . . . 0.428 ' O ' ' HB2' ' A' ' 542' ' ' LEU . . . . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 120.567 0.222 . . . . 0.0 110.49 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . 0.568 ' HE3' HG22 ' A' ' 585' ' ' THR . 13.7 tmtt? -64.17 -48.51 75.67 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 176.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -63.29 -41.22 98.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.11 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -62.12 -44.9 95.63 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.055 0.455 . . . . 0.0 110.7 177.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.768 HD12 HG21 ' A' ' 577' ' ' VAL . 0.3 OUTLIER -64.87 -47.31 78.34 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.688 -177.018 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 543' ' ' GLU . . . . . 0.562 ' CB ' HD13 ' A' ' 581' ' ' LEU . 8.5 tt0 -67.06 -42.14 85.27 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.53 -176.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 39.7 m -63.46 -42.01 98.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.229 177.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . 0.451 ' OH ' ' HG2' ' A' ' 600' ' ' GLU . 1.5 t80 -61.54 -49.13 77.95 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 178.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -64.53 -41.99 96.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.305 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -58.08 -43.48 87.06 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.63 175.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -61.23 -49.62 76.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.936 -178.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 549' ' ' MET . . . . . . . . . . . . . 21.8 mmt -64.57 -42.63 95.53 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.405 0.621 . . . . 0.0 110.291 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 550' ' ' LYS . . . . . 0.591 ' O ' ' HB2' ' A' ' 554' ' ' GLU . 4.4 ttmm -59.51 -45.98 90.17 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.809 177.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 66.3 m -65.52 -35.41 80.78 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.435 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -67.42 -46.8 72.12 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -177.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 553' ' ' VAL . . . . . 0.853 HG11 HG11 ' A' ' 570' ' ' VAL . 35.0 m -74.92 -34.35 32.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.186 0.517 . . . . 0.0 111.108 -179.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 554' ' ' GLU . . . . . 0.614 ' HG2' HD11 ' A' ' 571' ' ' LEU . 0.9 OUTLIER -86.37 1.19 52.1 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.776 179.521 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 555' ' ' ASP . . . . . 0.496 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 14.7 t70 -63.07 141.93 58.58 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 173.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -69.22 -13.71 62.56 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -173.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -103.2 -42.89 1.97 Allowed Glycine 0 N--CA 1.441 -0.991 0 C-N-CA 119.494 -1.336 . . . . 0.0 111.471 176.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.928 HD23 ' HD2' ' A' ' 561' ' ' LYS . 17.3 mt -70.4 -14.73 62.68 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.56 0.219 . . . . 0.0 111.256 177.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 560' ' ' GLY . 0.1 OUTLIER -61.76 -19.0 61.99 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.343 178.664 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 560' ' ' GLY . . . . . 0.456 ' N ' ' HD3' ' A' ' 559' ' ' LYS . . . -109.46 0.85 30.88 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.743 177.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 561' ' ' LYS . . . . . 0.928 ' HD2' HD23 ' A' ' 558' ' ' LEU . 82.5 mttt -96.36 -28.6 14.4 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.2 0.524 . . . . 0.0 110.203 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . 0.691 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.9 tt -105.98 156.78 6.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.407 177.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . 0.453 ' N ' HG12 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -79.47 148.97 31.68 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 178.909 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -54.55 -44.73 73.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.818 0.342 . . . . 0.0 111.086 -173.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -59.49 -43.25 93.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.067 -177.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 566' ' ' ASP . . . . . 0.478 ' O ' HG12 ' A' ' 570' ' ' VAL . 17.1 m-20 -67.07 -45.74 76.42 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.285 0.564 . . . . 0.0 109.876 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.458 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 52.0 tttm -54.34 -47.66 72.31 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.892 -1.049 . . . . 0.0 110.873 174.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -63.88 -49.36 73.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.887 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 569' ' ' LYS . . . . . 0.472 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 18.7 ptmt -64.85 -42.09 95.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.688 -172.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 570' ' ' VAL . . . . . 0.853 HG11 HG11 ' A' ' 553' ' ' VAL . 13.2 p -70.2 -40.55 78.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.685 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . 0.614 HD11 ' HG2' ' A' ' 554' ' ' GLU . 44.5 mt -60.37 -47.74 84.75 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.745 0.307 . . . . 0.0 110.592 177.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -62.38 -43.92 97.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.379 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 573' ' ' LYS . . . . . 0.601 ' CG ' HG11 ' A' ' 602' ' ' VAL . 49.1 tptt -64.68 -41.79 95.79 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.772 177.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 574' ' ' CYS . . . . . 0.495 ' SG ' HD21 ' A' ' 599' ' ' LEU . 67.1 m -62.18 -39.26 92.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.481 176.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.68 -36.16 81.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.479 175.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 576' ' ' GLU . . . . . 0.453 ' HB3' ' O ' ' A' ' 573' ' ' LYS . 1.5 tt0 -58.36 -56.36 23.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.163 177.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 577' ' ' VAL . . . . . 0.768 HG21 HD12 ' A' ' 542' ' ' LEU . 1.4 p -66.56 -42.78 90.53 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.532 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.445 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 578' ' ' ILE . . . . . 0.904 ' HA ' HD12 ' A' ' 581' ' ' LEU . 24.3 mt -61.83 -41.74 91.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 111.706 0.262 . . . . 0.0 111.706 -178.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 20.9 t -72.02 -25.93 62.01 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.206 0.527 . . . . 0.0 110.273 177.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 580' ' ' TRP . . . . . 0.705 ' CZ2' ' HG3' ' A' ' 591' ' ' GLU . 57.8 t90 -77.44 -39.35 47.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.083 176.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 581' ' ' LEU . . . . . 0.904 HD12 ' HA ' ' A' ' 578' ' ' ILE . 38.9 mt -56.52 -45.32 81.17 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.417 0.627 . . . . 0.0 110.232 176.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -65.47 -22.2 66.72 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.754 -1.112 . . . . 0.0 110.714 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -97.78 -32.43 11.73 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.181 -175.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -123.36 55.06 1.24 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.124 0.488 . . . . 0.0 110.708 -175.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 585' ' ' THR . . . . . 0.568 HG22 ' HE3' ' A' ' 539' ' ' LYS . 7.3 p -67.11 -21.55 65.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.635 0.731 . . . . 0.0 110.435 174.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 586' ' ' LEU . . . . . 0.484 HD22 ' N ' ' A' ' 586' ' ' LEU . 2.2 mm? -90.91 5.4 48.77 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.521 -175.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 587' ' ' ALA . . . . . 0.426 ' HB3' ' CE2' ' A' ' 592' ' ' PHE . . . -62.43 157.31 20.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.436 177.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -75.48 166.26 23.85 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 176.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -56.35 -44.61 80.23 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.093 -177.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 590' ' ' ASP . . . . . 0.527 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 12.0 m-20 -62.89 -26.99 69.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.93 -176.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . 0.705 ' HG3' ' CZ2' ' A' ' 580' ' ' TRP . 17.5 tp10 -65.93 -43.81 86.98 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 592' ' ' PHE . . . . . 0.46 ' O ' HD21 ' A' ' 542' ' ' LEU . 89.3 m-85 -71.24 -40.15 71.22 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.85 176.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . 0.527 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 55.2 mm-40 -58.19 -42.05 85.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.973 0.416 . . . . 0.0 110.393 -179.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -71.4 -37.19 71.55 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.411 176.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 7.5 tppt? -62.96 -36.81 84.69 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.141 0.496 . . . . 0.0 110.02 178.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 596' ' ' ARG . . . . . 0.662 ' HB2' HD21 ' A' ' 542' ' ' LEU . 17.7 ttp180 -60.16 -48.88 79.86 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.088 176.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . 0.601 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 32.6 mmtp -55.78 -43.36 76.69 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.663 177.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . 0.436 ' HB3' ' NZ ' ' A' ' 573' ' ' LYS . 45.0 mt-10 -60.02 -53.61 55.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.877 177.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.676 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.0 tm? -60.25 -42.88 96.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.708 -178.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . 0.559 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 48.2 mt-10 -57.51 -44.8 85.33 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.917 177.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 601' ' ' GLN . . . . . 0.601 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 49.5 mt-30 -65.95 -28.44 68.91 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . 0.676 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.4 p -76.24 -40.68 36.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 120.309 -0.556 . . . . 0.0 110.811 178.024 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 603' ' ' CYS . . . . . 0.65 ' HB2' HD13 ' A' ' 607' ' ' ILE . 15.3 p -83.3 -27.28 29.91 Favored 'General case' 0 C--O 1.219 -0.5 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.584 -177.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 604' ' ' ASN . . . . . 0.612 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 23.3 t30 -50.39 -52.99 49.76 Favored Pre-proline 0 N--CA 1.471 0.622 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -177.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 605' ' ' PRO . . . . . 0.612 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 51.7 Cg_exo -60.48 -21.61 68.78 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 122.179 1.919 . . . . 0.0 112.453 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 606' ' ' ILE . . . . . 0.691 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -91.98 -41.32 12.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.36 -179.798 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 607' ' ' ILE . . . . . 0.65 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -68.31 -29.51 44.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 C-N-CA 123.279 0.632 . . . . 0.0 111.233 -178.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 4.1 p -67.49 -11.79 58.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.96 0.409 . . . . 0.0 111.595 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -116.94 17.32 13.03 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.402 176.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 610' ' ' LEU . . . . . . . . . . . . . 93.4 mt . . . . . 0 C--O 1.251 1.167 0 CA-C-O 118.712 -0.661 . . . . 0.0 110.514 -178.35 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 538' ' ' ALA . . . . . 0.565 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . . . . . . 0 C--O 1.226 -0.17 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . 0.684 ' HG2' HD22 ' A' ' 581' ' ' LEU . 9.3 tmtt? -66.43 -42.43 87.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.086 0.47 . . . . 0.0 109.979 178.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -62.62 -41.27 98.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.135 177.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -63.83 -47.52 80.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.585 175.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.725 ' HB3' HD21 ' A' ' 581' ' ' LEU . 0.3 OUTLIER -63.24 -47.87 80.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.826 -0.624 . . . . 0.0 112.234 -175.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 543' ' ' GLU . . . . . 0.535 ' CB ' HD13 ' A' ' 581' ' ' LEU . 9.8 tt0 -68.21 -38.9 82.42 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-N 116.341 -0.39 . . . . 0.0 109.997 -176.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 15.3 t -66.31 -41.09 90.21 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.818 176.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . 0.495 ' CD1' HD12 ' A' ' 599' ' ' LEU . 2.2 t80 -61.83 -48.89 78.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.985 178.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.05 -43.62 91.68 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.321 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -57.55 -41.49 81.09 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.527 175.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 -61.57 -50.18 73.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.019 -178.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 549' ' ' MET . . . . . . . . . . . . . 22.8 mmt -65.91 -42.29 90.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.634 0.731 . . . . 0.0 110.249 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 550' ' ' LYS . . . . . 0.617 ' HG3' HD23 ' A' ' 571' ' ' LEU . 2.0 ttmm -59.62 -45.28 92.42 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.643 -1.162 . . . . 0.0 111.067 176.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 11.0 t -66.64 -37.02 83.96 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.926 178.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -62.76 -45.41 92.84 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -176.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 553' ' ' VAL . . . . . 0.714 HG11 HG11 ' A' ' 570' ' ' VAL . 35.9 m -76.25 -34.89 26.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.468 0.651 . . . . 0.0 111.206 -178.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 554' ' ' GLU . . . . . 0.557 ' HG2' HD11 ' A' ' 571' ' ' LEU . 0.3 OUTLIER -89.21 4.88 47.18 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.212 -0.904 . . . . 0.0 112.313 179.831 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 555' ' ' ASP . . . . . 0.591 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 31.9 t70 -65.71 138.34 57.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.354 0.597 . . . . 0.0 111.533 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 556' ' ' GLU . . . . . 0.405 ' C ' ' HG3' ' A' ' 559' ' ' LYS . 7.8 pt-20 -72.14 -8.86 57.06 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.017 -0.992 . . . . 0.0 113.111 -178.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . 0.554 ' O ' ' HE3' ' A' ' 561' ' ' LYS . . . -102.24 -36.44 3.61 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.547 -0.835 . . . . 0.0 111.101 175.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.912 HD23 ' HD2' ' A' ' 561' ' ' LYS . 1.7 mt -80.58 4.04 19.84 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.183 -0.508 . . . . 0.0 112.06 178.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . 0.405 ' HG3' ' C ' ' A' ' 556' ' ' GLU . 0.0 OUTLIER -57.79 129.19 40.76 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.308 0.575 . . . . 0.0 110.889 176.848 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 87.14 -14.35 57.59 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.729 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 561' ' ' LYS . . . . . 0.912 ' HD2' HD23 ' A' ' 558' ' ' LEU . 82.1 mttt -78.18 -27.77 48.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.22 0.534 . . . . 0.0 110.174 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . 0.737 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.4 tt -117.1 153.25 18.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 174.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 21.3 t -81.35 156.39 25.5 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 564' ' ' GLU . . . . . 0.639 ' HB3' ' HE2' ' A' ' 568' ' ' LYS . 14.6 mm-40 -55.63 -46.29 77.45 Favored 'General case' 0 C--O 1.221 -0.409 0 O-C-N 123.023 0.202 . . . . 0.0 110.804 -174.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -57.7 -43.5 85.19 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -175.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 566' ' ' ASP . . . . . 0.494 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 6.5 m-20 -68.25 -46.69 69.78 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.509 ' HE3' ' HG2' ' A' ' 554' ' ' GLU . 75.2 tttt -54.78 -48.41 72.71 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.816 175.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . 0.639 ' HE2' ' HB3' ' A' ' 564' ' ' GLU . 65.3 mttm -63.26 -46.77 85.3 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.623 -179.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 569' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 0.0 OUTLIER -64.05 -42.56 96.99 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.32 -174.348 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 570' ' ' VAL . . . . . 0.714 HG11 HG11 ' A' ' 553' ' ' VAL . 12.5 p -70.6 -42.26 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.737 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . 0.617 HD23 ' HG3' ' A' ' 550' ' ' LYS . 28.4 mt -59.72 -45.92 90.69 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.606 0.241 . . . . 0.0 110.693 178.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -62.15 -47.35 84.95 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.45 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 573' ' ' LYS . . . . . 0.607 ' O ' HG12 ' A' ' 577' ' ' VAL . 49.6 tptt -64.95 -39.94 94.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.012 179.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 574' ' ' CYS . . . . . 0.51 ' SG ' HD21 ' A' ' 599' ' ' LEU . 68.2 m -62.42 -41.31 98.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.968 0.413 . . . . 0.0 110.114 177.058 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -41.98 97.78 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.411 174.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -59.76 -52.6 64.79 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.074 -178.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 577' ' ' VAL . . . . . 0.687 HG21 HD12 ' A' ' 542' ' ' LEU . 1.5 p -66.83 -39.7 84.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.354 177.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 578' ' ' ILE . . . . . 1.013 ' HA ' HD12 ' A' ' 581' ' ' LEU . 14.4 mt -60.71 -41.46 88.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.864 0.364 . . . . 0.0 110.963 179.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 35.4 m -68.39 -32.02 71.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.821 0.343 . . . . 0.0 110.494 174.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 83.1 t90 -69.49 -37.66 77.32 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.697 178.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 581' ' ' LEU . . . . . 1.013 HD12 ' HA ' ' A' ' 578' ' ' ILE . 33.7 mt -59.58 -43.89 93.5 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.459 177.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -67.61 -33.82 75.75 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.322 178.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -82.33 -32.49 29.36 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.461 -0.79 . . . . 0.0 112.356 -175.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . 0.413 HD22 ' N ' ' A' ' 584' ' ' ASN . 0.9 OUTLIER -114.89 49.42 1.05 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.102 0.477 . . . . 0.0 110.22 -179.898 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.34 -21.43 65.29 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.341 0.591 . . . . 0.0 111.059 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -96.62 5.9 49.79 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.044 -174.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 587' ' ' ALA . . . . . 0.428 ' HB1' ' HB2' ' A' ' 591' ' ' GLU . . . -67.55 157.06 35.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.107 0.48 . . . . 0.0 111.218 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -85.03 170.15 13.26 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.739 173.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 589' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 590' ' ' ASP . 18.6 pttp -57.12 -45.12 83.75 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -172.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 590' ' ' ASP . . . . . 0.568 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 2.9 m-20 -58.11 -31.54 67.24 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -177.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . 0.428 ' HB2' ' HB1' ' A' ' 587' ' ' ALA . 30.3 mm-40 -62.14 -47.93 82.36 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 177.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 592' ' ' PHE . . . . . 0.565 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 75.8 m-85 -66.96 -40.13 87.42 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 115.157 -0.928 . . . . 0.0 109.888 176.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . 0.568 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 33.2 mt-10 -59.0 -38.73 79.87 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.32 -177.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . 0.41 ' O ' ' HG3' ' A' ' 598' ' ' GLU . 39.4 m80 -69.37 -41.71 76.15 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.751 0.31 . . . . 0.0 110.409 175.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 595' ' ' LYS . . . . . 0.448 ' HG2' HG23 ' A' ' 577' ' ' VAL . 13.4 tppt? -60.31 -36.34 77.68 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.526 176.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 596' ' ' ARG . . . . . 0.678 ' HB2' HD21 ' A' ' 542' ' ' LEU . 30.5 ttp180 -60.34 -41.77 94.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.722 178.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . 0.68 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 31.0 mmtp -61.27 -45.2 95.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.184 175.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 594' ' ' HIS . 29.8 mt-10 -60.04 -54.53 44.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.495 0.664 . . . . 0.0 111.147 -178.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.666 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.6 tm? -58.49 -42.15 86.93 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.228 -0.897 . . . . 0.0 109.568 178.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . 0.526 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 35.6 tt0 -56.45 -43.08 79.17 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.811 177.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 601' ' ' GLN . . . . . 0.68 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 24.1 mt-30 -67.47 -29.54 69.01 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 -178.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . 0.666 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.6 p -75.74 -39.77 39.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.748 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 603' ' ' CYS . . . . . 0.586 ' HA ' HD13 ' A' ' 606' ' ' ILE . 9.5 p -83.41 -27.75 29.36 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.779 -178.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 604' ' ' ASN . . . . . 0.638 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 33.4 t30 -49.97 -54.43 32.82 Favored Pre-proline 0 CA--C 1.537 0.477 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -175.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 605' ' ' PRO . . . . . 0.638 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 52.7 Cg_exo -60.24 -26.84 83.6 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 122.107 1.871 . . . . 0.0 112.461 -179.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 606' ' ' ILE . . . . . 0.737 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -83.68 -40.64 16.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.692 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 607' ' ' ILE . . . . . 0.585 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.4 mp -65.0 -30.58 50.79 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.595 178.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 45.7 m -59.69 -23.22 62.95 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.598 177.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -110.27 7.52 30.65 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.241 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 610' ' ' LEU . . . . . 0.657 HD21 ' HB ' ' A' ' 562' ' ' ILE . 73.8 mt . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.583 -0.722 . . . . 0.0 110.453 -178.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 538' ' ' ALA . . . . . 0.639 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . . . . . . 0 N--CA 1.455 -0.192 0 CA-C-O 120.287 0.089 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . 0.477 ' NZ ' ' HB3' ' A' ' 581' ' ' LEU . 2.3 tmtm? -60.88 -48.8 80.15 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.08 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -62.83 -47.22 84.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.797 -177.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -60.17 -43.04 96.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.781 178.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.785 HD12 HD21 ' A' ' 581' ' ' LEU . 2.5 tm? -66.14 -47.82 72.81 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.289 -176.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 543' ' ' GLU . . . . . 0.984 ' HG3' HD13 ' A' ' 581' ' ' LEU . 7.2 tt0 -65.17 -47.83 75.63 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 120.865 0.364 . . . . 0.0 110.34 -177.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 16.3 m -59.68 -32.7 70.73 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.381 178.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . 0.476 ' CD1' HD12 ' A' ' 599' ' ' LEU . 3.2 t80 -66.13 -49.33 67.85 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 178.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.98 -41.11 91.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.201 0.524 . . . . 0.0 110.159 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -57.33 -43.99 83.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.624 173.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 50.8 m-20 -59.66 -49.83 76.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.702 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 549' ' ' MET . . . . . 0.416 ' HG3' ' CD1' ' A' ' 599' ' ' LEU . 22.0 mmt -66.68 -43.47 84.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.22 0.533 . . . . 0.0 110.612 -178.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 550' ' ' LYS . . . . . 0.665 ' HG3' HD23 ' A' ' 571' ' ' LEU . 6.7 ttmm -58.6 -47.72 83.37 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.91 176.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 14.1 t -66.16 -36.12 82.27 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.151 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -63.84 -45.94 87.27 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -177.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 553' ' ' VAL . . . . . 0.847 HG11 HG11 ' A' ' 570' ' ' VAL . 34.5 m -76.71 -34.85 24.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.312 0.577 . . . . 0.0 111.212 -178.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 554' ' ' GLU . . . . . 0.62 ' HG2' HD11 ' A' ' 571' ' ' LEU . 1.1 mm-40 -86.95 3.62 45.0 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.381 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 555' ' ' ASP . . . . . 0.638 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 24.2 t70 -64.03 142.08 58.54 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.148 179.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 556' ' ' GLU . . . . . 0.931 ' HA ' ' HE3' ' A' ' 559' ' ' LYS . 35.8 mt-10 -69.4 -18.43 63.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.265 -176.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -97.66 -33.12 5.97 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.386 -0.911 . . . . 0.0 111.02 178.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.711 ' HA ' ' HG3' ' A' ' 561' ' ' LYS . 32.3 mt -86.15 -6.36 59.01 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . 0.931 ' HE3' ' HA ' ' A' ' 556' ' ' GLU . 19.6 ptpt -67.07 109.5 3.04 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 111.71 -22.65 18.97 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.504 -173.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 561' ' ' LYS . . . . . 0.711 ' HG3' ' HA ' ' A' ' 558' ' ' LEU . 50.6 mmtt -76.72 -36.55 57.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.398 0.618 . . . . 0.0 109.496 176.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . 0.784 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.5 tt -105.68 156.68 6.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.57 178.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . 0.459 ' N ' HG12 ' A' ' 562' ' ' ILE . 21.2 m -78.24 149.1 33.67 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.179 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 564' ' ' GLU . . . . . 0.438 ' H ' ' HG3' ' A' ' 564' ' ' GLU . 0.0 OUTLIER -53.57 -45.25 69.87 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -175.572 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.95 98.45 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.221 -178.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 566' ' ' ASP . . . . . 0.588 ' HB3' ' HB ' ' A' ' 606' ' ' ILE . 13.8 m-20 -66.21 -45.01 82.25 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.506 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 71.2 tttt -54.68 -47.98 72.96 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.606 174.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -64.69 -49.15 72.07 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.08 -178.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 569' ' ' LYS . . . . . 0.561 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 12.5 ptmt -59.2 -45.18 91.74 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 120.797 0.332 . . . . 0.0 110.567 -174.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 570' ' ' VAL . . . . . 0.847 HG11 HG11 ' A' ' 553' ' ' VAL . 12.6 p -69.93 -42.78 79.79 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.901 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.839 -178.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . 0.665 HD23 ' HG3' ' A' ' 550' ' ' LYS . 37.6 mt -59.86 -46.73 88.38 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.848 0.356 . . . . 0.0 110.481 178.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 572' ' ' ASP . . . . . 0.57 ' O ' ' HG3' ' A' ' 576' ' ' GLU . 33.9 t70 -61.47 -48.66 80.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.373 -178.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 573' ' ' LYS . . . . . 0.658 ' O ' HG12 ' A' ' 577' ' ' VAL . 46.1 tptt -63.07 -41.37 99.41 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.728 178.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 574' ' ' CYS . . . . . 0.526 ' SG ' HD21 ' A' ' 599' ' ' LEU . 92.3 m -62.98 -38.91 93.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.94 0.4 . . . . 0.0 110.699 178.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . 0.443 ' HG2' ' HE3' ' A' ' 550' ' ' LYS . 2.1 mm-40 -66.35 -41.72 89.13 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.873 176.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 576' ' ' GLU . . . . . 0.57 ' HG3' ' O ' ' A' ' 572' ' ' ASP . 61.2 mt-10 -59.75 -50.64 73.02 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 123.448 0.468 . . . . 0.0 110.695 178.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 577' ' ' VAL . . . . . 0.658 HG12 ' O ' ' A' ' 573' ' ' LYS . 2.4 p -66.59 -37.86 80.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.427 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 578' ' ' ILE . . . . . 0.898 ' HA ' HD12 ' A' ' 581' ' ' LEU . 13.3 mt -65.47 -39.58 85.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 122.249 -0.282 . . . . 0.0 111.272 178.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 24.7 p -71.6 -26.46 62.6 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 121.185 0.517 . . . . 0.0 110.446 174.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 580' ' ' TRP . . . . . 0.539 ' CE2' ' HE2' ' A' ' 595' ' ' LYS . 63.9 t90 -68.42 -40.83 81.09 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 175.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 581' ' ' LEU . . . . . 0.984 HD13 ' HG3' ' A' ' 543' ' ' GLU . 15.3 mt -60.59 -49.28 78.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.817 -1.083 . . . . 0.0 112.013 179.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -61.0 -21.51 63.64 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.493 0.663 . . . . 0.0 110.485 178.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -94.66 -3.77 48.84 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.902 -177.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . 0.83 ' ND2' ' HA ' ' A' ' 581' ' ' LEU . 0.1 OUTLIER -144.58 51.06 1.27 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.672 0.748 . . . . 0.0 111.549 -176.222 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 15.3 p -62.97 -15.25 55.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.812 -0.555 . . . . 0.0 111.652 -177.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -113.74 7.41 17.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.393 -178.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 587' ' ' ALA . . . . . 0.551 ' HB2' ' HB2' ' A' ' 584' ' ' ASN . . . -49.69 153.39 1.23 Allowed 'General case' 0 C--O 1.236 0.346 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -177.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -58.21 144.78 39.61 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 172.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 589' ' ' LYS . . . . . 0.404 ' H ' ' HG2' ' A' ' 589' ' ' LYS . 28.5 pttt -61.77 -36.0 79.77 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.006 -175.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 590' ' ' ASP . . . . . 0.405 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 2.8 m-20 -62.97 -24.94 68.13 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.468 176.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . 0.55 ' HA ' ' OE1' ' A' ' 591' ' ' GLU . 0.5 OUTLIER -65.16 -44.45 88.49 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 120.319 -0.552 . . . . 0.0 110.456 177.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 592' ' ' PHE . . . . . 0.639 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 65.9 m-85 -66.47 -32.5 73.91 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.555 177.199 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . 0.546 ' O ' ' HG2' ' A' ' 597' ' ' LYS . 50.1 mm-40 -66.28 -48.92 68.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.893 176.17 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . 0.446 ' O ' ' HG3' ' A' ' 598' ' ' GLU . 24.6 m170 -63.54 -47.62 80.86 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 121.134 0.492 . . . . 0.0 109.824 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 595' ' ' LYS . . . . . 0.539 ' HE2' ' CE2' ' A' ' 580' ' ' TRP . 0.2 OUTLIER -61.29 -34.43 75.2 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.198 -177.579 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 596' ' ' ARG . . . . . 0.497 ' HB2' ' O ' ' A' ' 592' ' ' PHE . 10.5 ttm180 -62.43 -39.97 95.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.688 177.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . 0.586 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 22.0 mmtp -66.5 -40.82 89.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.769 177.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 594' ' ' HIS . 51.0 mt-10 -60.36 -55.16 37.0 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.889 0.852 . . . . 0.0 110.843 177.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.667 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.5 tm? -58.26 -41.62 84.69 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.573 -1.194 . . . . 0.0 109.384 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . 0.619 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 27.3 tt0 -58.2 -41.17 83.39 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.083 178.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 601' ' ' GLN . . . . . 0.586 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 85.9 mt-30 -69.31 -27.56 65.49 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -179.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . 0.667 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.3 p -75.06 -39.02 43.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 C-N-CA 120.164 -0.614 . . . . 0.0 110.353 177.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 603' ' ' CYS . . . . . 0.657 ' HB2' HD13 ' A' ' 607' ' ' ILE . 25.0 p -82.57 -25.97 32.81 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.3 -178.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 604' ' ' ASN . . . . . 0.629 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 49.7 t30 -50.27 -54.47 33.81 Favored Pre-proline 0 CA--C 1.539 0.536 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -174.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 605' ' ' PRO . . . . . 0.629 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 45.9 Cg_exo -61.23 -21.71 72.51 Favored 'Trans proline' 0 C--N 1.359 1.121 0 C-N-CA 122.043 1.829 . . . . 0.0 112.361 -178.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 606' ' ' ILE . . . . . 0.784 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -90.0 -39.68 12.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.103 -178.561 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 607' ' ' ILE . . . . . 0.657 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.2 mp -64.59 -24.55 35.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.283 -178.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 16.6 m -55.67 -28.47 55.68 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.796 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -118.14 23.24 9.33 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.514 -0.85 . . . . 0.0 112.741 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 610' ' ' LEU . . . . . 0.697 HD21 ' HB ' ' A' ' 562' ' ' ILE . 50.0 mt . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.515 -0.755 . . . . 0.0 110.458 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 538' ' ' ALA . . . . . 0.667 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . . . . . . 0 CA--C 1.529 0.138 0 N-CA-C 111.906 0.336 . . . . 0.0 111.906 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . 0.592 ' HE2' ' HB3' ' A' ' 581' ' ' LEU . 13.3 tmtt? -61.06 -46.93 88.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.116 0.484 . . . . 0.0 110.154 178.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -63.72 -45.47 89.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.635 -179.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -63.16 -42.51 99.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.83 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.749 HD12 HG21 ' A' ' 577' ' ' VAL . 0.5 OUTLIER -61.92 -47.23 85.85 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.456 -178.478 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 543' ' ' GLU . . . . . 0.497 ' HG3' HD13 ' A' ' 581' ' ' LEU . 3.3 tt0 -63.22 -49.17 75.24 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.189 -179.339 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 42.9 m -62.74 -33.1 74.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.042 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . 0.568 ' CD1' HD12 ' A' ' 599' ' ' LEU . 3.0 t80 -67.77 -49.76 60.76 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 178.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -66.1 -43.27 87.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.603 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -57.29 -41.12 79.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.572 175.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -63.69 -49.48 72.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.572 -178.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 549' ' ' MET . . . . . 0.457 ' HG2' ' O ' ' A' ' 545' ' ' TYR . 18.3 mmt -65.49 -43.66 89.53 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.343 0.592 . . . . 0.0 110.211 -178.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 550' ' ' LYS . . . . . 0.595 ' HG3' HD23 ' A' ' 571' ' ' LEU . 3.5 ttmm -57.88 -47.62 82.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.167 177.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 21.7 t -66.37 -37.33 85.05 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.9 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -63.27 -45.91 89.3 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -177.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 553' ' ' VAL . . . . . 0.839 HG11 HG11 ' A' ' 570' ' ' VAL . 34.4 m -76.69 -35.19 24.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.307 0.575 . . . . 0.0 111.308 -178.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 554' ' ' GLU . . . . . 0.61 ' HA ' ' HE3' ' A' ' 567' ' ' LYS . 0.2 OUTLIER -85.63 3.32 41.39 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.844 -179.723 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 555' ' ' ASP . . . . . 0.643 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 17.0 t70 -69.74 133.43 47.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.018 176.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 556' ' ' GLU . . . . . 0.908 ' HA ' ' HE3' ' A' ' 559' ' ' LYS . 40.9 mt-10 -70.51 -9.5 56.8 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.493 -175.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -100.52 -32.72 5.35 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.558 -0.829 . . . . 0.0 111.188 176.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 1.018 HD23 ' HD2' ' A' ' 561' ' ' LYS . 4.1 mt -83.23 -15.27 51.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.497 -0.351 . . . . 0.0 111.664 179.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . 0.908 ' HE3' ' HA ' ' A' ' 556' ' ' GLU . 19.4 ptpt -61.06 128.32 35.85 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 172.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 103.29 -31.36 8.81 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.406 -0.902 . . . . 0.0 111.334 -173.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 561' ' ' LYS . . . . . 1.018 ' HD2' HD23 ' A' ' 558' ' ' LEU . 84.3 mttt -74.49 -36.09 63.26 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 173.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . 0.84 ' HB ' HD21 ' A' ' 610' ' ' LEU . 5.6 tt -107.76 153.68 9.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.226 175.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 20.0 m -82.36 149.92 27.45 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 176.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -54.53 -43.74 72.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.516 0.198 . . . . 0.0 111.202 -175.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -57.62 -43.31 84.68 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.588 -178.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 566' ' ' ASP . . . . . 0.545 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 14.1 m-20 -67.4 -46.13 74.15 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.128 0.489 . . . . 0.0 109.846 178.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.626 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 77.0 tttt -54.84 -48.01 73.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.852 175.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -65.18 -44.8 87.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.762 -178.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 569' ' ' LYS . . . . . 0.545 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 4.8 ptmt -65.72 -43.18 89.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.361 -175.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 570' ' ' VAL . . . . . 0.839 HG11 HG11 ' A' ' 553' ' ' VAL . 12.1 p -69.85 -39.88 78.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.131 -179.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . 0.595 HD23 ' HG3' ' A' ' 550' ' ' LYS . 32.7 mt -61.24 -47.31 86.66 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.832 0.348 . . . . 0.0 110.661 178.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -63.07 -42.84 99.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.929 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 573' ' ' LYS . . . . . 0.597 ' CG ' HG11 ' A' ' 602' ' ' VAL . 50.7 tptt -66.07 -42.43 89.42 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.955 177.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 574' ' ' CYS . . . . . 0.483 ' SG ' HD21 ' A' ' 599' ' ' LEU . 94.9 m -61.14 -38.83 87.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.161 0.505 . . . . 0.0 110.376 176.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.49 -36.36 82.55 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.808 176.232 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.39 -56.89 16.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.339 177.129 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 577' ' ' VAL . . . . . 0.749 HG21 HD12 ' A' ' 542' ' ' LEU . 1.4 p -65.27 -41.18 90.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.5 -178.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 578' ' ' ILE . . . . . 0.989 ' HA ' HD12 ' A' ' 581' ' ' LEU . 17.5 mt -61.13 -44.1 97.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.65 0.262 . . . . 0.0 111.357 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 20.3 m -68.7 -31.3 70.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.066 0.46 . . . . 0.0 110.131 176.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 580' ' ' TRP . . . . . 0.623 ' CZ2' ' HG3' ' A' ' 591' ' ' GLU . 67.8 t90 -72.18 -36.49 69.27 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.96 179.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 581' ' ' LEU . . . . . 0.989 HD12 ' HA ' ' A' ' 578' ' ' ILE . 35.9 mt -58.5 -44.16 89.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.718 0.77 . . . . 0.0 110.339 176.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -71.61 -21.33 61.86 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.829 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -96.45 -32.95 12.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 112.124 -176.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . 0.488 ' HB3' ' HB2' ' A' ' 587' ' ' ALA . 3.1 m-20 -118.68 47.47 1.63 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.326 0.584 . . . . 0.0 109.528 178.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 585' ' ' THR . . . . . 0.562 HG23 ' HE3' ' A' ' 539' ' ' LYS . 0.2 OUTLIER -61.74 -20.67 63.78 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.204 179.015 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 586' ' ' LEU . . . . . 0.429 HD22 ' N ' ' A' ' 586' ' ' LEU . 2.4 mm? -98.7 6.8 46.73 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.786 -177.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 587' ' ' ALA . . . . . 0.488 ' HB2' ' HB3' ' A' ' 584' ' ' ASN . . . -56.9 158.57 4.72 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.997 177.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -76.33 160.75 29.32 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.767 177.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.29 -44.24 83.89 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.921 0.391 . . . . 0.0 111.344 -175.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 590' ' ' ASP . . . . . 0.437 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 5.9 p-10 -64.78 -24.98 67.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.791 179.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . 0.623 ' HG3' ' CZ2' ' A' ' 580' ' ' TRP . 5.8 tp10 -62.79 -49.33 75.37 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 176.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 592' ' ' PHE . . . . . 0.667 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 94.5 m-85 -63.99 -40.82 97.22 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.088 177.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . 0.551 ' O ' ' HG2' ' A' ' 597' ' ' LYS . 5.9 mm-40 -59.65 -38.5 81.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.4 -178.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -65.88 -38.36 88.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.876 0.37 . . . . 0.0 110.308 174.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 595' ' ' LYS . . . . . 0.444 ' HD3' ' HA ' ' A' ' 595' ' ' LYS . 5.7 tppt? -66.6 -36.43 82.59 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.119 178.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 596' ' ' ARG . . . . . 0.7 ' HB2' HD21 ' A' ' 542' ' ' LEU . 41.1 ttp85 -60.49 -37.32 80.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.596 177.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . 0.593 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 28.7 mmtp -69.51 -43.65 72.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.356 176.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -59.73 -53.11 61.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.213 0.53 . . . . 0.0 111.325 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.721 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.2 tm? -59.94 -42.34 93.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.374 -179.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . 0.577 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 38.4 tt0 -57.47 -45.91 84.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.082 176.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 601' ' ' GLN . . . . . 0.593 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 77.7 mt-30 -63.7 -29.39 70.62 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . 0.721 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.4 p -76.33 -39.6 34.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.521 178.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 603' ' ' CYS . . . . . 0.647 ' HB2' HD13 ' A' ' 607' ' ' ILE . 25.4 p -83.31 -26.73 30.34 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.657 -177.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 604' ' ' ASN . . . . . 0.587 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 18.7 t30 -49.68 -53.52 40.76 Favored Pre-proline 0 CA--C 1.541 0.61 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -176.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 605' ' ' PRO . . . . . 0.587 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 53.1 Cg_exo -59.49 -24.7 75.97 Favored 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 122.085 1.856 . . . . 0.0 112.035 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 606' ' ' ILE . . . . . 0.714 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -89.74 -40.62 13.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.119 -177.753 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 607' ' ' ILE . . . . . 0.647 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -67.19 -29.83 47.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.483 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 50.1 m -62.94 -23.48 67.41 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.858 176.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -101.81 -9.19 43.72 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.911 -0.661 . . . . 0.0 111.984 177.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 610' ' ' LEU . . . . . 0.84 HD21 ' HB ' ' A' ' 562' ' ' ILE . 78.9 mt . . . . . 0 C--O 1.246 0.871 0 CA-C-O 118.477 -0.773 . . . . 0.0 110.216 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 538' ' ' ALA . . . . . 0.435 ' O ' ' HB2' ' A' ' 542' ' ' LEU . . . . . . . . 0 C--O 1.226 -0.144 0 CA-C-O 120.343 0.116 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -66.18 -45.44 80.85 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 177.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -64.47 -46.72 81.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.17 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -58.0 -48.79 78.95 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.994 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.766 HD21 ' HB2' ' A' ' 596' ' ' ARG . 0.5 OUTLIER -61.28 -47.56 85.44 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.641 -177.698 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 543' ' ' GLU . . . . . 0.502 ' CB ' HD13 ' A' ' 581' ' ' LEU . 8.9 tt0 -68.33 -45.93 71.58 Favored 'General case' 0 N--CA 1.439 -1.017 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.475 -176.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 18.9 t -65.54 -36.96 85.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.122 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . 0.526 ' CD1' HD12 ' A' ' 599' ' ' LEU . 1.4 t80 -61.76 -49.45 76.35 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 176.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.74 -40.42 92.12 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.639 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -59.11 -44.39 91.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.206 173.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 61.8 m-20 -61.7 -47.32 85.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.886 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 549' ' ' MET . . . . . . . . . . . . . 28.1 mmt -64.77 -43.77 92.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.373 0.606 . . . . 0.0 110.403 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 550' ' ' LYS . . . . . 0.787 ' HG3' HD23 ' A' ' 571' ' ' LEU . 4.7 ttmm -59.64 -45.53 91.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.935 -1.03 . . . . 0.0 110.844 176.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 58.0 m -66.81 -34.98 79.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.684 177.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -65.74 -45.82 81.19 Favored 'General case' 0 C--O 1.224 -0.289 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -176.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 553' ' ' VAL . . . . . 0.776 HG11 HG11 ' A' ' 570' ' ' VAL . 26.4 m -75.03 -34.61 32.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.618 0.723 . . . . 0.0 111.186 -179.15 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 554' ' ' GLU . . . . . 0.507 ' HB2' ' O ' ' A' ' 550' ' ' LYS . 1.6 mm-40 -86.54 3.53 43.82 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.363 178.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 555' ' ' ASP . . . . . 0.449 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 28.8 t70 -68.53 141.87 55.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.772 178.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -69.77 -12.93 62.01 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -176.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . 0.531 ' O ' ' HE3' ' A' ' 561' ' ' LYS . . . -100.91 -28.23 7.04 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.505 -0.855 . . . . 0.0 111.686 178.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.97 HD23 ' HD2' ' A' ' 561' ' ' LYS . 10.4 mt -98.27 -6.09 31.77 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 111.609 0.226 . . . . 0.0 111.609 -179.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -56.92 -37.53 71.6 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -177.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . -93.81 -6.61 62.0 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.034 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 561' ' ' LYS . . . . . 0.97 ' HD2' HD23 ' A' ' 558' ' ' LEU . 85.1 mttt -81.92 -34.6 29.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.108 0.48 . . . . 0.0 110.529 -178.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . 0.859 ' HB ' HD21 ' A' ' 610' ' ' LEU . 5.5 tt -106.92 153.57 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.604 -177.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . 0.46 ' HB3' ' OD2' ' A' ' 566' ' ' ASP . 32.9 t -82.17 155.13 25.13 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.169 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 564' ' ' GLU . . . . . 0.436 ' HB3' ' HE3' ' A' ' 568' ' ' LYS . 29.9 mt-10 -54.88 -48.16 73.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.611 0.243 . . . . 0.0 111.065 -175.121 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -57.74 -42.54 84.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.246 -176.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 566' ' ' ASP . . . . . 0.498 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 21.5 m-20 -67.22 -49.73 63.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.33 0.586 . . . . 0.0 109.78 179.193 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.614 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 81.2 tttt -53.93 -47.78 70.87 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.758 -1.11 . . . . 0.0 111.228 176.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . 0.436 ' HE3' ' HB3' ' A' ' 564' ' ' GLU . 94.9 mttt -63.46 -47.18 82.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.577 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 569' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 0.0 OUTLIER -64.28 -41.76 96.74 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.3 -173.475 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 570' ' ' VAL . . . . . 0.776 HG11 HG11 ' A' ' 553' ' ' VAL . 12.6 p -70.95 -42.15 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.307 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . 0.787 HD23 ' HG3' ' A' ' 550' ' ' LYS . 20.0 mt -59.01 -49.43 77.91 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.266 0.555 . . . . 0.0 110.228 177.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -61.31 -45.1 95.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.329 -178.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 573' ' ' LYS . . . . . 0.589 ' CG ' HG11 ' A' ' 602' ' ' VAL . 47.5 tptt -64.75 -42.23 95.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.851 177.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 574' ' ' CYS . . . . . 0.423 ' SG ' HD21 ' A' ' 599' ' ' LEU . 99.2 m -59.86 -38.53 82.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.567 177.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -66.78 -38.74 87.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.116 177.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -59.32 -53.89 53.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.792 0.33 . . . . 0.0 110.917 178.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 577' ' ' VAL . . . . . 0.632 HG21 HD12 ' A' ' 542' ' ' LEU . 1.5 p -64.05 -40.66 89.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.996 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 578' ' ' ILE . . . . . 0.936 ' HA ' HD12 ' A' ' 581' ' ' LEU . 19.7 mt -62.74 -43.92 99.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-O 120.772 0.32 . . . . 0.0 111.692 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 15.8 t -69.56 -25.1 63.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.157 0.503 . . . . 0.0 110.204 176.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 85.3 t90 -75.05 -37.05 61.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.817 -0.628 . . . . 0.0 109.668 176.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 581' ' ' LEU . . . . . 0.936 HD12 ' HA ' ' A' ' 578' ' ' ILE . 37.4 mt -61.18 -42.19 98.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.366 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -63.91 -33.97 76.91 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.349 0.595 . . . . 0.0 109.885 175.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -81.07 -33.7 33.23 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.263 -0.881 . . . . 0.0 112.452 -173.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . 0.707 ' ND2' ' HA ' ' A' ' 581' ' ' LEU . 0.1 OUTLIER -98.28 43.65 1.06 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.435 0.636 . . . . 0.0 111.177 -176.343 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.67 -12.1 14.72 Favored 'General case' 0 C--N 1.315 -0.898 0 O-C-N 122.011 -0.43 . . . . 0.0 111.976 -174.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -109.6 5.65 23.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.368 -179.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 587' ' ' ALA . . . . . 0.421 ' HB2' ' HB2' ' A' ' 584' ' ' ASN . . . -66.61 155.96 36.42 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.369 0.604 . . . . 0.0 110.967 179.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -99.47 176.17 5.59 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.985 175.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -55.51 -45.18 77.11 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -169.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 590' ' ' ASP . . . . . 0.662 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 10.1 p-10 -66.39 -24.96 66.57 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -175.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -63.93 -48.98 74.42 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.215 0.531 . . . . 0.0 109.727 172.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 592' ' ' PHE . . . . . 0.453 ' O ' HD21 ' A' ' 542' ' ' LEU . 88.2 m-85 -64.23 -41.84 96.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.748 176.348 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . 0.662 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 38.2 mm-40 -59.38 -42.79 92.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.294 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -59.53 -43.43 93.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.046 0.451 . . . . 0.0 110.283 174.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 595' ' ' LYS . . . . . 0.73 ' HE2' ' OE1' ' A' ' 598' ' ' GLU . 0.1 OUTLIER -68.76 -36.56 78.5 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.241 -176.437 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 596' ' ' ARG . . . . . 0.766 ' HB2' HD21 ' A' ' 542' ' ' LEU . 49.8 ttp85 -57.25 -44.82 84.21 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.33 177.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . 0.66 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 22.6 mmmt -60.19 -43.42 95.92 Favored 'General case' 0 CA--C 1.523 -0.089 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.906 178.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . 0.73 ' OE1' ' HE2' ' A' ' 595' ' ' LYS . 51.8 mt-10 -59.31 -55.62 32.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.867 179.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.679 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.0 tm? -59.26 -42.51 91.31 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.788 -1.096 . . . . 0.0 109.714 -177.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . 0.578 ' HG3' ' O ' ' A' ' 596' ' ' ARG . 44.2 mt-10 -56.14 -45.27 79.65 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 116.775 -0.193 . . . . 0.0 110.509 175.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 601' ' ' GLN . . . . . 0.66 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 50.2 mt-30 -65.8 -29.48 69.97 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -177.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . 0.679 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.7 p -76.01 -39.14 36.55 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.574 178.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 603' ' ' CYS . . . . . 0.69 ' HB2' HD13 ' A' ' 607' ' ' ILE . 22.1 p -82.53 -26.51 32.41 Favored 'General case' 0 C--O 1.219 -0.515 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.454 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 604' ' ' ASN . . . . . 0.609 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 26.7 t30 -50.11 -54.06 37.27 Favored Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -176.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 605' ' ' PRO . . . . . 0.609 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 44.2 Cg_exo -60.75 -22.31 72.89 Favored 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 122.301 2.001 . . . . 0.0 112.365 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 606' ' ' ILE . . . . . 0.786 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -91.19 -40.35 12.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.14 -178.688 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 607' ' ' ILE . . . . . 0.69 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.2 mp -65.65 -30.01 48.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.178 -178.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 6.7 p -66.67 -16.89 64.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.815 0.34 . . . . 0.0 111.025 177.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -113.53 11.14 23.7 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.21 178.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 610' ' ' LEU . . . . . 0.859 HD21 ' HB ' ' A' ' 562' ' ' ILE . 48.1 mt . . . . . 0 C--O 1.251 1.151 0 CA-C-O 118.621 -0.704 . . . . 0.0 110.605 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 538' ' ' ALA . . . . . 0.537 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . . . . . . 0 C--O 1.222 -0.393 0 CA-C-O 119.888 -0.101 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . 0.536 ' NZ ' ' HB3' ' A' ' 581' ' ' LEU . 3.7 tmtm? -56.5 -47.54 79.06 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -65.61 -47.55 75.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.261 -177.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 541' ' ' ALA . . . . . 0.478 ' O ' ' HB2' ' A' ' 545' ' ' TYR . . . -64.57 -40.7 96.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.986 0.422 . . . . 0.0 110.587 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.914 HD12 HD21 ' A' ' 581' ' ' LEU . 2.8 tm? -65.37 -48.16 73.89 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.398 -177.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 543' ' ' GLU . . . . . 0.809 ' HG3' HD13 ' A' ' 581' ' ' LEU . 21.5 tt0 -68.86 -47.86 64.88 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 120.577 0.227 . . . . 0.0 110.795 -176.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 544' ' ' SER . . . . . 0.498 ' O ' ' HB2' ' A' ' 548' ' ' ASN . 21.5 m -62.73 -29.39 70.64 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.284 178.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . 0.499 ' CD1' HD12 ' A' ' 599' ' ' LEU . 2.4 t80 -61.76 -49.7 75.36 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -66.09 -43.06 88.39 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.363 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . 0.462 ' HB2' ' HA ' ' A' ' 544' ' ' SER . 3.9 m-85 -56.64 -39.09 73.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.81 175.185 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 548' ' ' ASN . . . . . 0.498 ' HB2' ' O ' ' A' ' 544' ' ' SER . 2.5 t-20 -67.41 -49.05 65.47 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.094 -175.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 549' ' ' MET . . . . . 0.412 ' HE3' ' HB3' ' A' ' 548' ' ' ASN . 22.1 mmt -65.51 -42.84 91.63 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.431 0.634 . . . . 0.0 109.974 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 550' ' ' LYS . . . . . 0.56 ' HG3' HD23 ' A' ' 571' ' ' LEU . 2.3 ttmm -58.35 -46.54 86.06 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.816 -1.084 . . . . 0.0 111.062 176.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 20.0 t -65.83 -36.18 82.75 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.031 178.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -64.17 -45.94 86.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.733 -177.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 553' ' ' VAL . . . . . 0.749 HG11 HG11 ' A' ' 570' ' ' VAL . 34.1 m -76.88 -35.27 23.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.147 0.499 . . . . 0.0 111.449 -178.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 554' ' ' GLU . . . . . 0.62 ' HG2' HD11 ' A' ' 571' ' ' LEU . 0.9 OUTLIER -85.64 3.98 38.45 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.05 179.626 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 555' ' ' ASP . . . . . 0.6 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 13.0 t70 -64.67 136.05 56.56 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 172.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 556' ' ' GLU . . . . . 0.677 ' HA ' ' HE3' ' A' ' 559' ' ' LYS . 1.8 pm0 -69.57 -12.0 61.29 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -172.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -101.49 -35.26 4.16 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 119.977 -1.106 . . . . 0.0 111.04 177.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.801 ' HA ' ' HG3' ' A' ' 561' ' ' LYS . 29.3 mt -78.37 -17.19 56.83 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.534 -0.333 . . . . 0.0 111.479 179.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . 0.677 ' HE3' ' HA ' ' A' ' 556' ' ' GLU . 22.2 pttp -71.92 98.62 2.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.875 0.845 . . . . 0.0 109.533 173.295 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 127.93 -29.59 4.13 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 110.075 -1.21 . . . . 0.0 110.075 -170.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 561' ' ' LYS . . . . . 0.801 ' HG3' ' HA ' ' A' ' 558' ' ' LEU . 28.5 mmtm -73.99 -37.32 64.47 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 171.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . 0.776 ' HB ' HD21 ' A' ' 610' ' ' LEU . 5.5 tt -105.64 152.15 7.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 114.414 -1.267 . . . . 0.0 109.342 177.256 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . 0.417 ' HB3' ' OD1' ' A' ' 566' ' ' ASP . 32.8 t -71.25 147.63 48.02 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 177.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -58.67 -35.63 72.88 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.249 -177.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -60.59 -43.33 97.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.564 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 566' ' ' ASP . . . . . 0.627 ' HB3' ' HB ' ' A' ' 606' ' ' ILE . 7.9 m-20 -70.0 -44.98 68.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.08 0.466 . . . . 0.0 109.958 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.608 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 52.7 tttm -54.67 -47.87 73.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.958 174.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -65.6 -49.13 69.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.862 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 569' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 18.5 ptmt -61.62 -43.3 99.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.395 -174.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 570' ' ' VAL . . . . . 0.749 HG11 HG11 ' A' ' 553' ' ' VAL . 11.6 p -70.73 -40.34 76.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.886 -179.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . 0.62 HD11 ' HG2' ' A' ' 554' ' ' GLU . 35.5 mt -60.68 -47.36 86.59 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.744 0.306 . . . . 0.0 110.431 177.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -59.57 -47.26 86.26 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.414 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 573' ' ' LYS . . . . . 0.662 ' O ' HG12 ' A' ' 577' ' ' VAL . 49.6 tptt -64.62 -41.61 96.07 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.83 178.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 574' ' ' CYS . . . . . 0.533 ' SG ' HD21 ' A' ' 599' ' ' LEU . 97.5 m -61.34 -38.41 86.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.905 0.383 . . . . 0.0 110.452 177.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -66.8 -36.88 83.42 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.037 175.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 576' ' ' GLU . . . . . 0.406 ' HB3' ' O ' ' A' ' 573' ' ' LYS . 0.1 OUTLIER -58.54 -55.28 37.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.954 0.406 . . . . 0.0 110.254 176.305 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 577' ' ' VAL . . . . . 0.662 HG12 ' O ' ' A' ' 573' ' ' LYS . 1.3 p -66.21 -41.85 89.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.741 -178.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 578' ' ' ILE . . . . . 0.914 ' HA ' HD12 ' A' ' 581' ' ' LEU . 21.0 mt -63.2 -40.19 88.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 111.525 0.194 . . . . 0.0 111.525 -179.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 56.3 m -70.38 -30.81 67.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 110.557 175.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 51.3 t90 -68.7 -37.81 79.82 Favored 'General case' 0 C--O 1.222 -0.385 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 581' ' ' LEU . . . . . 0.914 HD12 ' HA ' ' A' ' 578' ' ' ILE . 16.1 mt -59.53 -48.04 83.2 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.225 176.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -64.87 -34.22 77.86 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.455 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -82.03 -31.42 30.98 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.598 -178.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . 0.501 ' HB3' ' HB2' ' A' ' 587' ' ' ALA . 5.2 m-20 -119.62 52.97 1.07 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.363 -176.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 1.3 p -67.28 -19.83 65.55 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.656 0.741 . . . . 0.0 110.773 173.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -90.13 5.18 47.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.752 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 587' ' ' ALA . . . . . 0.501 ' HB2' ' HB3' ' A' ' 584' ' ' ASN . . . -67.16 151.48 47.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.333 177.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -86.62 171.29 11.11 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.018 177.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 52.7 pttt -54.8 -45.08 74.32 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -171.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 590' ' ' ASP . . . . . 0.446 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 3.2 m-20 -61.34 -29.4 69.87 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.329 -177.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . 0.544 ' HA ' ' OE1' ' A' ' 591' ' ' GLU . 2.9 mm-40 -64.4 -44.46 91.21 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 120.584 -0.447 . . . . 0.0 110.596 178.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 592' ' ' PHE . . . . . 0.537 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 78.9 m-85 -65.17 -38.94 92.15 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.399 176.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . 0.499 ' O ' ' HG2' ' A' ' 597' ' ' LYS . 21.0 mm-40 -60.44 -44.22 96.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.251 177.576 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -62.88 -48.1 80.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.042 0.449 . . . . 0.0 110.284 178.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 595' ' ' LYS . . . . . 0.442 ' HG2' HG23 ' A' ' 577' ' ' VAL . 12.0 tppt? -63.06 -34.53 77.79 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.428 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 596' ' ' ARG . . . . . 0.525 ' HB2' HD23 ' A' ' 542' ' ' LEU . 41.2 ttp85 -61.78 -36.85 82.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.313 178.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . 0.503 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 65.6 mmtt -64.87 -43.35 93.26 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.301 0.572 . . . . 0.0 109.647 175.189 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.36 -56.86 16.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.368 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.714 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.5 tm? -58.94 -42.5 89.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.52 -177.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . 0.544 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 29.1 tt0 -57.58 -44.96 85.74 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.989 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 601' ' ' GLN . . . . . 0.503 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 48.9 mt-30 -68.73 -25.58 64.82 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . 0.714 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.5 p -75.58 -39.64 40.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.366 177.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 603' ' ' CYS . . . . . 0.614 ' HB2' HD13 ' A' ' 607' ' ' ILE . 15.1 p -82.2 -26.53 33.25 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.304 -178.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 604' ' ' ASN . . . . . 0.526 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 6.7 t30 -50.05 -52.47 52.72 Favored Pre-proline 0 N--CA 1.473 0.675 0 N-CA-C 113.215 0.821 . . . . 0.0 113.215 -175.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 605' ' ' PRO . . . . . 0.526 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 52.0 Cg_exo -59.9 -31.42 93.73 Favored 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 122.018 1.812 . . . . 0.0 112.447 178.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 606' ' ' ILE . . . . . 0.774 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -81.35 -40.23 17.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.184 -177.668 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 607' ' ' ILE . . . . . 0.614 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -66.11 -28.76 44.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.077 177.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 47.9 t -63.39 -23.25 67.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.386 175.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -103.34 -1.09 47.42 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.117 178.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 610' ' ' LEU . . . . . 0.776 HD21 ' HB ' ' A' ' 562' ' ' ILE . 72.2 mt . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.453 -0.784 . . . . 0.0 110.554 -178.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 538' ' ' ALA . . . . . 0.503 ' O ' ' HB2' ' A' ' 542' ' ' LEU . . . . . . . . 0 C--O 1.224 -0.246 0 N-CA-C 111.491 0.182 . . . . 0.0 111.491 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . 0.718 ' HE3' HG22 ' A' ' 585' ' ' THR . 14.1 tmtt? -62.61 -39.66 94.46 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -68.23 -47.01 68.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.647 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -63.16 -42.53 99.44 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.72 178.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 538' ' ' ALA . 0.3 OUTLIER -67.12 -47.3 71.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.179 -175.068 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 543' ' ' GLU . . . . . 0.563 ' CB ' HD13 ' A' ' 581' ' ' LEU . 12.9 tt0 -66.83 -40.99 88.18 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.112 -177.279 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 54.9 m -67.06 -31.46 71.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.561 176.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -67.59 -49.46 63.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.005 0.431 . . . . 0.0 109.879 177.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.22 -40.29 93.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.136 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -59.62 -39.04 82.96 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.691 174.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -64.98 -49.11 71.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.691 -178.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 549' ' ' MET . . . . . . . . . . . . . 21.9 mmt -63.36 -43.19 98.39 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-O 121.301 0.572 . . . . 0.0 109.85 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 550' ' ' LYS . . . . . 0.604 ' HG3' HD23 ' A' ' 571' ' ' LEU . 4.4 ttmm -59.79 -47.62 84.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.037 176.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 13.0 t -66.15 -36.61 83.58 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -63.5 -45.97 88.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.55 -177.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 553' ' ' VAL . . . . . 0.782 HG11 HG11 ' A' ' 570' ' ' VAL . 35.5 m -76.56 -34.62 24.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.181 0.515 . . . . 0.0 111.326 -178.033 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 554' ' ' GLU . . . . . 0.504 ' HB2' ' O ' ' A' ' 550' ' ' LYS . 0.0 OUTLIER -85.24 3.9 37.26 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.178 179.62 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 555' ' ' ASP . . . . . 0.472 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 20.4 t70 -70.03 142.77 52.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.643 176.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -69.42 -17.75 63.68 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -174.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -98.02 -38.55 4.06 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 119.642 -1.266 . . . . 0.0 111.11 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.986 HD23 ' HD2' ' A' ' 561' ' ' LYS . 16.3 mt -79.03 -12.64 60.03 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.482 -0.359 . . . . 0.0 111.772 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -65.77 -19.71 65.99 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.012 0.434 . . . . 0.0 111.049 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . -101.1 3.42 55.29 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.676 -0.774 . . . . 0.0 111.6 176.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 561' ' ' LYS . . . . . 0.986 ' HD2' HD23 ' A' ' 558' ' ' LEU . 79.5 mttt -104.48 -32.49 8.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.987 0.422 . . . . 0.0 110.838 -178.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . 0.784 ' HB ' HD21 ' A' ' 610' ' ' LEU . 5.9 tt -106.91 153.27 8.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.508 -179.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . 0.409 ' N ' HG12 ' A' ' 562' ' ' ILE . 0.3 OUTLIER -75.53 153.86 37.21 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.769 179.36 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -55.46 -46.38 76.8 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 123.31 0.382 . . . . 0.0 110.194 -178.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -59.84 -43.3 94.66 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -177.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 566' ' ' ASP . . . . . 0.646 ' HB3' ' HB ' ' A' ' 606' ' ' ILE . 16.8 m-20 -67.61 -47.41 69.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.282 0.563 . . . . 0.0 109.776 -178.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.602 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 44.4 tttt -54.89 -47.32 74.44 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.373 174.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 30.7 tttp -58.63 -51.01 71.74 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.264 -0.88 . . . . 0.0 112.018 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 569' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 0.0 OUTLIER -65.38 -43.92 89.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.801 -172.69 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 570' ' ' VAL . . . . . 0.782 HG11 HG11 ' A' ' 553' ' ' VAL . 12.8 p -70.3 -40.17 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.206 -176.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . 0.604 HD23 ' HG3' ' A' ' 550' ' ' LYS . 39.8 mt -60.18 -48.31 82.28 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 110.408 178.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 572' ' ' ASP . . . . . 0.477 ' O ' ' HG3' ' A' ' 576' ' ' GLU . 11.4 t70 -61.76 -47.25 86.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.202 -178.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 573' ' ' LYS . . . . . 0.68 ' HG2' HG11 ' A' ' 602' ' ' VAL . 39.4 tptt -62.05 -41.82 98.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.551 177.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 574' ' ' CYS . . . . . 0.413 ' SG ' HD21 ' A' ' 599' ' ' LEU . 83.6 m -62.35 -38.06 88.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.293 0.568 . . . . 0.0 109.721 178.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . 0.448 ' HG2' ' HE3' ' A' ' 550' ' ' LYS . 7.4 mm-40 -63.64 -40.66 97.44 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.494 175.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 576' ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' A' ' 572' ' ' ASP . 49.0 mt-10 -58.02 -55.62 32.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.15 0.5 . . . . 0.0 110.262 178.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 577' ' ' VAL . . . . . 0.536 HG12 ' O ' ' A' ' 573' ' ' LYS . 1.9 p -67.12 -39.67 83.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.861 -179.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 578' ' ' ILE . . . . . 0.921 ' HA ' HD12 ' A' ' 581' ' ' LEU . 12.5 mt -61.88 -42.03 93.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 111.76 0.281 . . . . 0.0 111.76 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 24.6 p -69.75 -29.74 67.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.918 0.39 . . . . 0.0 110.174 177.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 59.2 t90 -70.74 -38.79 73.55 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.663 176.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 581' ' ' LEU . . . . . 0.921 HD12 ' HA ' ' A' ' 578' ' ' ILE . 47.1 mt -57.73 -46.59 84.24 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.936 178.29 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -68.4 -23.22 64.63 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.559 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -90.82 -30.67 16.85 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.433 -176.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . 0.455 ' HB3' ' HB2' ' A' ' 587' ' ' ALA . 42.4 m-80 -123.2 58.18 1.12 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.252 0.548 . . . . 0.0 111.021 -178.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 585' ' ' THR . . . . . 0.718 HG22 ' HE3' ' A' ' 539' ' ' LYS . 70.5 p -70.03 -17.95 63.28 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.577 0.703 . . . . 0.0 109.64 174.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 586' ' ' LEU . . . . . 0.447 HD22 ' N ' ' A' ' 586' ' ' LEU . 1.3 mm? -93.5 5.4 51.71 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 114.834 -1.076 . . . . 0.0 110.372 -176.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 587' ' ' ALA . . . . . 0.455 ' HB2' ' HB3' ' A' ' 584' ' ' ASN . . . -66.54 151.97 46.2 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.207 177.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -78.63 165.16 23.98 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 176.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 589' ' ' LYS . . . . . 0.406 ' HE3' ' HB2' ' A' ' 589' ' ' LYS . 17.4 ptmt -55.33 -42.7 74.14 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -173.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 590' ' ' ASP . . . . . 0.447 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 4.7 p-10 -60.43 -28.33 68.19 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -176.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 595' ' ' LYS . 3.4 mm-40 -62.8 -42.97 99.94 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 175.072 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -72.46 -38.53 68.23 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.029 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' A' ' 597' ' ' LYS . 6.5 mm-40 -60.03 -46.73 88.53 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.824 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -69.92 -37.37 75.92 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.421 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 595' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 591' ' ' GLU . 3.0 tppt? -64.27 -35.75 81.86 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.291 0.567 . . . . 0.0 109.625 179.033 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 596' ' ' ARG . . . . . 0.638 ' O ' ' HG3' ' A' ' 600' ' ' GLU . 10.3 ttp85 -57.96 -50.69 72.53 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 114.858 -1.064 . . . . 0.0 109.464 176.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . 0.652 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 13.0 mmmm -58.23 -41.32 83.89 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.423 178.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -61.11 -53.49 56.37 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.9 0.857 . . . . 0.0 111.144 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.675 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.4 tm? -59.31 -40.57 86.67 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.688 179.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . 0.638 ' HG3' ' O ' ' A' ' 596' ' ' ARG . 32.5 mt-10 -58.8 -37.15 75.7 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.172 176.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 601' ' ' GLN . . . . . 0.652 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 76.3 mt-30 -66.2 -31.83 72.89 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 111.589 0.218 . . . . 0.0 111.589 178.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . 0.68 HG11 ' HG2' ' A' ' 573' ' ' LYS . 1.5 p -75.45 -40.28 41.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.024 -0.67 . . . . 0.0 111.114 179.292 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 603' ' ' CYS . . . . . 0.765 ' HB2' HD13 ' A' ' 607' ' ' ILE . 25.1 p -83.08 -25.08 32.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.906 -177.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 604' ' ' ASN . . . . . 0.626 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 15.9 t30 -48.72 -55.49 19.57 Favored Pre-proline 0 N--CA 1.473 0.705 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -177.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 605' ' ' PRO . . . . . 0.626 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 51.7 Cg_exo -58.51 -25.12 72.82 Favored 'Trans proline' 0 C--N 1.357 1.01 0 C-N-CA 122.032 1.821 . . . . 0.0 112.536 -179.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 606' ' ' ILE . . . . . 0.781 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -91.37 -40.38 12.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.562 -175.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 607' ' ' ILE . . . . . 0.765 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.2 mp -68.29 -22.42 27.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 C-N-CA 123.523 0.729 . . . . 0.0 111.971 -176.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 13.1 m -56.68 -29.45 62.37 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -113.15 10.73 24.61 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.443 -0.884 . . . . 0.0 112.717 -177.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 610' ' ' LEU . . . . . 0.784 HD21 ' HB ' ' A' ' 562' ' ' ILE . 52.1 mt . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.56 -0.733 . . . . 0.0 110.541 -177.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 538' ' ' ALA . . . . . 0.492 ' O ' ' HB2' ' A' ' 542' ' ' LEU . . . . . . . . 0 CA--C 1.52 -0.205 0 N-CA-C 111.222 0.082 . . . . 0.0 111.222 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -67.81 -46.89 70.63 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -62.57 -43.24 99.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.539 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -62.73 -44.47 96.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.425 177.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.628 HD21 ' HB2' ' A' ' 596' ' ' ARG . 0.2 OUTLIER -63.56 -47.34 81.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.424 -178.146 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 543' ' ' GLU . . . . . 0.477 ' HG3' HD13 ' A' ' 581' ' ' LEU . 5.4 tt0 -63.61 -49.18 74.33 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.388 -177.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 60.5 m -64.71 -32.33 73.96 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.04 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . 0.431 ' CD1' HD12 ' A' ' 599' ' ' LEU . 2.0 t80 -66.07 -49.29 68.15 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -63.14 -44.73 94.71 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 178.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -56.22 -41.47 75.72 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.535 176.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -59.56 -50.23 74.7 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.571 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 549' ' ' MET . . . . . . . . . . . . . 22.0 mmt -66.3 -43.86 85.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.357 0.599 . . . . 0.0 110.176 -178.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 550' ' ' LYS . . . . . 0.596 ' HG3' HD23 ' A' ' 571' ' ' LEU . 4.2 ttmm -59.44 -48.87 79.99 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.882 -1.053 . . . . 0.0 111.416 177.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 6.2 t -66.55 -35.4 80.14 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.867 179.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -64.76 -45.63 85.6 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 553' ' ' VAL . . . . . 0.822 HG11 HG11 ' A' ' 570' ' ' VAL . 29.6 m -74.4 -35.84 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.308 0.575 . . . . 0.0 111.109 -178.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 554' ' ' GLU . . . . . 0.721 ' HG2' HD11 ' A' ' 571' ' ' LEU . 3.5 mm-40 -86.4 5.05 36.82 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.827 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 555' ' ' ASP . . . . . 0.563 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 25.9 t70 -68.44 138.53 55.36 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.098 177.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 556' ' ' GLU . . . . . 0.441 ' O ' ' HE3' ' A' ' 559' ' ' LYS . 9.5 mm-40 -70.11 -12.3 61.5 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -177.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -101.46 -32.31 5.22 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.219 -0.991 . . . . 0.0 111.073 177.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.563 ' HB2' ' HB3' ' A' ' 555' ' ' ASP . 15.5 mt -87.24 -7.62 57.69 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.709 0.29 . . . . 0.0 111.47 178.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . 0.441 ' HE3' ' O ' ' A' ' 556' ' ' GLU . 21.5 pttp -65.38 124.12 21.42 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 172.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 106.11 -32.72 7.07 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 -172.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 561' ' ' LYS . . . . . 0.554 ' HG3' HD23 ' A' ' 558' ' ' LEU . 30.6 mmtm -69.09 -38.54 79.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.49 0.662 . . . . 0.0 109.322 174.151 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . 0.904 ' HB ' HD21 ' A' ' 610' ' ' LEU . 5.7 tt -109.22 150.04 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.724 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.738 178.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 19.0 m -82.09 163.27 22.14 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.317 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -58.77 -47.11 85.83 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 -173.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -60.93 -39.58 89.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.797 -175.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 566' ' ' ASP . . . . . 0.551 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 21.9 m-20 -70.45 -45.29 66.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.541 -178.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.577 ' HE2' ' O ' ' A' ' 553' ' ' VAL . 23.3 ttmt -55.91 -47.7 76.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.244 0.545 . . . . 0.0 110.048 174.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -62.56 -45.17 94.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.859 -177.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 569' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 18.7 ptmt -65.05 -45.53 84.98 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.533 -176.244 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 570' ' ' VAL . . . . . 0.822 HG11 HG11 ' A' ' 553' ' ' VAL . 12.5 p -70.46 -41.07 78.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.558 -177.033 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . 0.721 HD11 ' HG2' ' A' ' 554' ' ' GLU . 48.6 mt -59.88 -46.69 88.5 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.149 0.5 . . . . 0.0 110.197 176.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -63.89 -45.1 90.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.651 -178.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 573' ' ' LYS . . . . . 0.565 ' O ' HG12 ' A' ' 577' ' ' VAL . 48.2 tptt -65.62 -39.32 91.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.778 177.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 574' ' ' CYS . . . . . 0.6 ' SG ' HD12 ' A' ' 578' ' ' ILE . 5.5 t -60.42 -41.79 94.68 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.556 0.693 . . . . 0.0 110.066 177.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -61.17 -40.32 93.43 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 114.955 -1.021 . . . . 0.0 111.519 175.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -57.62 -56.26 24.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.969 0.414 . . . . 0.0 110.51 177.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 577' ' ' VAL . . . . . 0.565 HG12 ' O ' ' A' ' 573' ' ' LYS . 0.8 OUTLIER -63.32 -43.33 98.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.404 -179.393 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 578' ' ' ILE . . . . . 0.97 ' HA ' HD12 ' A' ' 581' ' ' LEU . 13.7 mt -61.53 -40.41 86.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.61 0.243 . . . . 0.0 111.438 -178.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 70.1 m -70.89 -30.77 67.23 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.717 176.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -71.49 -37.58 71.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.876 178.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 581' ' ' LEU . . . . . 0.97 HD12 ' HA ' ' A' ' 578' ' ' ILE . 23.4 mt -60.48 -46.63 89.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.74 177.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -65.89 -33.1 75.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.227 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -82.74 -31.7 28.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.986 -176.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . 0.431 ' HB3' ' HB2' ' A' ' 587' ' ' ALA . 37.8 m-80 -119.19 63.6 0.79 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.258 0.552 . . . . 0.0 111.25 -177.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 71.7 p -77.03 -12.3 59.92 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.955 0.883 . . . . 0.0 109.094 174.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 586' ' ' LEU . . . . . 0.485 HD22 ' N ' ' A' ' 586' ' ' LEU . 1.7 mm? -93.54 5.48 51.44 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 114.255 -1.339 . . . . 0.0 110.141 -179.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 587' ' ' ALA . . . . . 0.431 ' HB2' ' HB3' ' A' ' 584' ' ' ASN . . . -72.28 160.6 32.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.284 178.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -91.05 171.14 9.47 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.66 176.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 21.3 pttm -54.36 -44.7 72.41 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.285 0.564 . . . . 0.0 111.75 -173.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 590' ' ' ASP . . . . . 0.431 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 6.6 m-20 -65.56 -30.44 71.18 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.351 -174.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . 0.416 ' HB2' ' HB1' ' A' ' 587' ' ' ALA . 7.7 mm-40 -60.36 -41.63 94.11 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.229 0.538 . . . . 0.0 109.933 177.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 592' ' ' PHE . . . . . 0.48 ' O ' HD21 ' A' ' 542' ' ' LEU . 83.8 m-85 -67.61 -45.62 74.93 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.401 175.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . 0.474 ' O ' ' HG2' ' A' ' 597' ' ' LYS . 11.9 mm-40 -59.44 -36.6 76.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.55 -178.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -64.37 -43.51 94.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.179 0.514 . . . . 0.0 109.851 174.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 595' ' ' LYS . . . . . 0.443 ' HD3' ' HA ' ' A' ' 595' ' ' LYS . 0.3 OUTLIER -65.95 -35.68 81.25 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.636 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 596' ' ' ARG . . . . . 0.628 ' HB2' HD21 ' A' ' 542' ' ' LEU . 33.5 ttp85 -60.82 -37.19 81.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.91 178.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . 0.606 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 39.2 mmtm -62.26 -48.59 79.26 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 121.309 0.576 . . . . 0.0 109.856 174.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -60.2 -56.07 26.07 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.964 -175.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.667 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.8 tm? -59.2 -38.1 79.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.627 -177.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . 0.549 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 39.7 tt0 -58.94 -41.65 87.92 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.851 176.153 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 601' ' ' GLN . . . . . 0.606 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 90.5 mt-30 -65.17 -32.58 74.33 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -178.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . 0.667 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.6 p -74.28 -40.29 50.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.786 -179.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 603' ' ' CYS . . . . . 0.647 ' HA ' HD13 ' A' ' 606' ' ' ILE . 8.4 p -83.33 -27.51 29.69 Favored 'General case' 0 C--O 1.223 -0.298 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -177.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 604' ' ' ASN . . . . . 0.599 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 25.7 t30 -49.9 -52.27 53.66 Favored Pre-proline 0 CA--C 1.543 0.68 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -175.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 605' ' ' PRO . . . . . 0.599 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 49.2 Cg_exo -60.55 -30.67 91.12 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 122.141 1.894 . . . . 0.0 112.492 178.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 606' ' ' ILE . . . . . 0.668 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -81.19 -40.13 18.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.27 -178.479 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 607' ' ' ILE . . . . . 0.622 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -64.72 -29.69 48.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.342 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 48.2 m -69.0 -11.71 61.03 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.646 178.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -113.85 -4.45 22.81 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.949 -0.643 . . . . 0.0 111.699 177.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 610' ' ' LEU . . . . . 0.904 HD21 ' HB ' ' A' ' 562' ' ' ILE . 59.6 mt . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.592 -0.718 . . . . 0.0 110.504 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 538' ' ' ALA . . . . . 0.654 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.365 0 CA-C-O 120.439 0.162 . . . . 0.0 111.223 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . 0.615 ' NZ ' ' HB3' ' A' ' 581' ' ' LEU . 3.4 tmtm? -67.99 -49.56 60.91 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 177.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -61.96 -42.93 99.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.65 -1.159 . . . . 0.0 110.737 177.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 541' ' ' ALA . . . . . 0.438 ' O ' ' HB2' ' A' ' 545' ' ' TYR . . . -62.11 -49.45 75.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 178.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.854 HD12 HG21 ' A' ' 577' ' ' VAL . 0.5 OUTLIER -63.35 -47.87 80.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.306 -0.407 . . . . 0.0 112.062 -176.479 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 543' ' ' GLU . . . . . 0.709 ' HG3' HD13 ' A' ' 581' ' ' LEU . 10.2 tt0 -68.39 -42.4 79.13 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.022 -174.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 23.0 t -65.61 -39.44 91.53 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.051 177.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . 0.531 ' CZ ' ' HG2' ' A' ' 600' ' ' GLU . 1.7 t80 -62.98 -48.55 78.36 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.055 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.97 -42.98 89.19 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.473 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -56.84 -44.27 81.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.362 174.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -59.33 -49.59 77.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.793 -179.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 549' ' ' MET . . . . . 0.445 ' HG2' ' O ' ' A' ' 545' ' ' TYR . 24.6 mmt -65.77 -41.46 92.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.198 0.523 . . . . 0.0 110.54 -178.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 550' ' ' LYS . . . . . 0.719 ' HG3' HD23 ' A' ' 571' ' ' LEU . 5.2 ttmm -61.46 -46.21 91.03 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.003 177.4 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 32.9 m -65.96 -35.36 80.38 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 176.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -63.92 -45.17 90.45 Favored 'General case' 0 C--O 1.225 -0.233 0 CA-C-O 120.776 0.322 . . . . 0.0 111.839 -177.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 553' ' ' VAL . . . . . 0.727 HG11 HG11 ' A' ' 570' ' ' VAL . 35.2 m -77.01 -35.79 23.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.095 0.474 . . . . 0.0 111.269 -178.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 554' ' ' GLU . . . . . 0.491 ' HB2' ' O ' ' A' ' 550' ' ' LYS . 0.4 OUTLIER -88.0 4.27 45.66 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.677 -178.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 555' ' ' ASP . . . . . 0.547 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 32.5 t70 -68.29 135.82 52.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.2 0.524 . . . . 0.0 110.767 178.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -69.66 -9.41 54.15 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.657 -0.702 . . . . 0.0 112.498 -176.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -102.2 -28.02 6.66 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.022 175.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 1.078 HD23 ' HD2' ' A' ' 561' ' ' LYS . 4.4 mt -91.7 -11.21 37.53 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.607 0.241 . . . . 0.0 111.455 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 57.3 pttt -64.73 127.6 32.23 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.163 -0.681 . . . . 0.0 109.163 173.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 103.44 -27.32 20.37 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.753 -0.736 . . . . 0.0 111.502 -172.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 561' ' ' LYS . . . . . 1.078 ' HD2' HD23 ' A' ' 558' ' ' LEU . 81.0 mttt -78.89 -38.19 38.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.323 0.582 . . . . 0.0 109.761 176.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . 0.776 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.6 tt -106.28 150.31 9.0 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.182 -179.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.76 145.06 34.61 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 175.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 564' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 568' ' ' LYS . 21.5 mm-40 -59.99 -31.68 70.14 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.617 -172.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -61.73 -43.22 99.27 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.038 177.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 566' ' ' ASP . . . . . 0.608 ' HB3' ' HB ' ' A' ' 606' ' ' ILE . 2.2 m-20 -68.64 -45.29 72.21 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 179.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.555 ' HE2' ' O ' ' A' ' 553' ' ' VAL . 35.8 ttmt -54.78 -48.36 72.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.894 175.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 564' ' ' GLU . 57.4 mtpt -63.53 -48.98 75.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.52 -178.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 569' ' ' LYS . . . . . 0.473 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 18.3 ptmt -60.97 -43.85 98.19 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.433 -174.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 570' ' ' VAL . . . . . 0.727 HG11 HG11 ' A' ' 553' ' ' VAL . 11.1 p -70.91 -44.57 75.77 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.498 -179.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . 0.719 HD23 ' HG3' ' A' ' 550' ' ' LYS . 29.1 mt -56.88 -47.24 80.93 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.037 0.446 . . . . 0.0 110.11 178.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -59.46 -46.95 87.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.407 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 573' ' ' LYS . . . . . 0.616 ' CG ' HG11 ' A' ' 602' ' ' VAL . 48.7 tptt -66.84 -40.77 88.04 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 574' ' ' CYS . . . . . 0.412 ' SG ' HD21 ' A' ' 599' ' ' LEU . 87.4 m -59.34 -38.34 80.09 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.964 0.412 . . . . 0.0 110.38 176.145 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -66.13 -37.28 85.31 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.059 176.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.84 -53.06 62.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.781 177.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 577' ' ' VAL . . . . . 0.854 HG21 HD12 ' A' ' 542' ' ' LEU . 0.6 OUTLIER -66.18 -43.68 91.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.335 179.551 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 578' ' ' ILE . . . . . 0.987 ' HA ' HD12 ' A' ' 581' ' ' LEU . 26.4 mt -61.67 -40.15 85.73 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -178.134 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 20.4 p -71.66 -33.93 69.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.137 0.494 . . . . 0.0 110.589 176.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 51.3 t90 -66.21 -35.44 80.46 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 176.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 581' ' ' LEU . . . . . 0.987 HD12 ' HA ' ' A' ' 578' ' ' ILE . 17.1 mt -61.76 -47.09 86.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.612 178.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -62.95 -35.32 79.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.507 0.67 . . . . 0.0 109.907 177.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -75.9 -31.46 59.2 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.912 -1.04 . . . . 0.0 111.686 -177.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . 0.682 ' HB3' ' HB2' ' A' ' 587' ' ' ALA . 41.3 m-80 -126.5 69.83 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.662 -177.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.44 -29.5 52.89 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.412 0.625 . . . . 0.0 110.65 177.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 586' ' ' LEU . . . . . 0.448 HD22 ' N ' ' A' ' 586' ' ' LEU . 3.0 mm? -96.51 6.28 49.07 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.793 -175.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 587' ' ' ALA . . . . . 0.682 ' HB2' ' HB3' ' A' ' 584' ' ' ASN . . . -56.18 156.2 5.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.502 176.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -78.75 162.17 26.33 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.081 175.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 589' ' ' LYS . . . . . 0.768 ' HD2' ' H ' ' A' ' 590' ' ' ASP . 0.0 OUTLIER -56.22 -41.93 76.45 Favored 'General case' 0 C--N 1.316 -0.86 0 O-C-N 123.252 0.345 . . . . 0.0 111.681 -175.461 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 590' ' ' ASP . . . . . 0.768 ' H ' ' HD2' ' A' ' 589' ' ' LYS . 12.9 m-20 -57.94 -35.23 70.83 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -61.24 -45.58 93.93 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.377 0.608 . . . . 0.0 109.707 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 592' ' ' PHE . . . . . 0.654 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 82.1 m-85 -66.84 -39.24 87.55 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.627 175.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . 0.476 ' O ' ' HG2' ' A' ' 597' ' ' LYS . 19.8 mm-40 -59.28 -40.49 86.23 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.356 -178.047 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -64.63 -43.2 94.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.011 0.434 . . . . 0.0 110.085 174.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 595' ' ' LYS . . . . . 0.548 ' HA ' ' HE3' ' A' ' 595' ' ' LYS . 0.0 OUTLIER -60.68 -37.61 82.16 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.863 179.174 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 596' ' ' ARG . . . . . 0.787 ' HB2' HD21 ' A' ' 542' ' ' LEU . 53.8 ttp85 -60.83 -49.91 75.59 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.017 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . 0.5 ' O ' ' HG2' ' A' ' 601' ' ' GLN . 24.1 mmmt -57.69 -43.73 85.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.45 -178.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . 0.438 ' OE1' ' HE3' ' A' ' 595' ' ' LYS . 45.3 mt-10 -60.15 -50.82 72.18 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.068 178.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.697 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.4 tm? -59.35 -44.42 92.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.694 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . 0.669 ' HG3' ' O ' ' A' ' 596' ' ' ARG . 33.3 mt-10 -57.23 -46.29 83.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.096 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 601' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 597' ' ' LYS . 13.6 mm100 -68.32 -22.99 64.67 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -178.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . 0.697 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.3 p -76.39 -41.86 35.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.711 175.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 603' ' ' CYS . . . . . 0.574 ' HB2' HD13 ' A' ' 607' ' ' ILE . 6.7 p -82.96 -27.73 30.29 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.645 -176.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 604' ' ' ASN . . . . . 0.635 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 37.2 t30 -49.87 -52.16 54.43 Favored Pre-proline 0 CA--C 1.54 0.562 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -177.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 605' ' ' PRO . . . . . 0.635 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 51.2 Cg_exo -60.52 -26.28 82.47 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 122.145 1.897 . . . . 0.0 112.394 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 606' ' ' ILE . . . . . 0.776 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -85.8 -40.54 14.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.014 -179.18 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 607' ' ' ILE . . . . . 0.584 ' N ' HG12 ' A' ' 606' ' ' ILE . 1.3 mp -64.19 -27.9 43.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.292 178.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 24.5 t -61.85 -20.47 63.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.723 176.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -117.55 27.7 7.48 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.985 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 610' ' ' LEU . . . . . 0.554 HD22 HD22 ' A' ' 558' ' ' LEU . 50.1 mt . . . . . 0 C--O 1.252 1.199 0 CA-C-O 118.401 -0.809 . . . . 0.0 110.513 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 538' ' ' ALA . . . . . 0.618 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . . . . . . 0 C--O 1.222 -0.363 0 N-CA-C 111.23 0.085 . . . . 0.0 111.23 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 2.5 tmtm? -62.03 -48.77 78.8 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -178.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -64.17 -48.15 77.11 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.727 -178.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 541' ' ' ALA . . . . . 0.499 ' O ' ' HB2' ' A' ' 545' ' ' TYR . . . -62.39 -35.04 77.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.568 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.837 HD12 HD21 ' A' ' 581' ' ' LEU . 1.7 tm? -72.41 -48.07 44.18 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.182 -178.058 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 543' ' ' GLU . . . . . 1.026 ' HG3' HD13 ' A' ' 581' ' ' LEU . 5.9 tt0 -67.51 -47.11 70.92 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 120.771 0.319 . . . . 0.0 110.181 -178.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 48.8 m -57.73 -35.61 70.91 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.403 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . 0.499 ' HB2' ' O ' ' A' ' 541' ' ' ALA . 2.6 t80 -63.91 -50.28 69.35 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 178.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -66.42 -42.89 87.1 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 120.985 0.422 . . . . 0.0 110.317 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -57.41 -41.48 80.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.358 175.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 -63.66 -49.53 72.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.901 -0.591 . . . . 0.0 112.051 -178.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 549' ' ' MET . . . . . 0.445 ' HG2' ' O ' ' A' ' 545' ' ' TYR . 23.4 mmt -64.84 -41.49 95.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.454 0.645 . . . . 0.0 110.006 -179.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 550' ' ' LYS . . . . . 0.602 ' HG3' HD23 ' A' ' 571' ' ' LEU . 3.0 ttmm -60.34 -45.37 93.67 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.792 -1.095 . . . . 0.0 110.995 175.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 69.2 m -66.17 -36.35 82.86 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.595 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -65.08 -45.72 84.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.725 -177.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 553' ' ' VAL . . . . . 0.797 HG11 HG11 ' A' ' 570' ' ' VAL . 33.2 m -76.4 -36.16 28.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.286 0.565 . . . . 0.0 111.134 -179.164 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 554' ' ' GLU . . . . . 0.67 ' HA ' ' HE3' ' A' ' 567' ' ' LYS . 1.9 mm-40 -84.33 3.47 35.58 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.049 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 555' ' ' ASP . . . . . 0.54 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 30.9 t70 -64.82 132.99 51.01 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 176.13 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -70.81 -7.78 47.77 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.471 -175.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -101.87 -38.04 3.26 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.338 -0.934 . . . . 0.0 111.496 175.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.776 ' HA ' ' HD2' ' A' ' 561' ' ' LYS . 5.9 mt -80.5 -9.96 59.75 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 57.6 pttt -64.01 116.66 6.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.337 0.589 . . . . 0.0 109.466 174.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 113.76 -37.06 3.73 Favored Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -172.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 561' ' ' LYS . . . . . 0.776 ' HD2' ' HA ' ' A' ' 558' ' ' LEU . 78.8 mttt -66.63 -35.77 80.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.477 0.656 . . . . 0.0 110.215 175.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . 0.73 ' HB ' HD21 ' A' ' 610' ' ' LEU . 6.1 tt -106.11 151.19 8.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.14 174.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 19.6 m -70.97 143.3 50.9 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 175.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -59.93 -31.51 69.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.177 -176.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -62.98 -43.32 99.11 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.317 177.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 566' ' ' ASP . . . . . 0.627 ' HA ' ' HD3' ' A' ' 569' ' ' LYS . 36.1 m-20 -68.48 -43.37 77.1 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.687 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 86.0 tttt -54.74 -48.2 72.88 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.022 175.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -68.45 -44.44 74.86 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.94 -177.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 569' ' ' LYS . . . . . 0.627 ' HD3' ' HA ' ' A' ' 566' ' ' ASP . 21.2 pttt -63.9 -43.19 96.73 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.292 -176.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 570' ' ' VAL . . . . . 0.797 HG11 HG11 ' A' ' 553' ' ' VAL . 12.5 p -70.44 -40.15 77.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.663 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . 0.602 HD23 ' HG3' ' A' ' 550' ' ' LYS . 36.1 mt -59.06 -47.38 85.45 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 175.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -59.43 -47.1 86.77 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.699 177.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 573' ' ' LYS . . . . . 0.677 ' HZ1' ' HB3' ' A' ' 598' ' ' GLU . 48.5 tptt -63.76 -41.45 97.99 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.809 179.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 574' ' ' CYS . . . . . 0.562 ' SG ' HD21 ' A' ' 599' ' ' LEU . 96.6 m -62.5 -38.41 89.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.27 0.557 . . . . 0.0 109.888 177.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -65.62 -39.11 91.13 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.66 176.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.44 -55.3 36.62 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.369 176.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 577' ' ' VAL . . . . . 0.603 HG12 ' O ' ' A' ' 573' ' ' LYS . 1.3 p -66.68 -41.72 88.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.906 -179.236 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 578' ' ' ILE . . . . . 0.926 ' HA ' HD12 ' A' ' 581' ' ' LEU . 19.9 mt -61.25 -37.79 78.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.753 0.311 . . . . 0.0 110.968 179.221 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 45.8 m -68.83 -37.32 79.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.143 0.497 . . . . 0.0 110.191 174.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 56.3 t90 -65.12 -35.92 82.65 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.609 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 581' ' ' LEU . . . . . 1.026 HD13 ' HG3' ' A' ' 543' ' ' GLU . 14.6 mt -63.01 -47.28 83.77 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.151 -0.932 . . . . 0.0 111.646 178.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -64.05 -34.23 77.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.855 178.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -77.76 -31.27 51.94 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.735 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . 0.584 ' HB3' ' HB2' ' A' ' 587' ' ' ALA . 27.5 m-80 -118.96 63.6 0.78 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.104 -177.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 8.4 p -76.54 -12.83 60.09 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.948 176.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -105.28 7.09 33.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.512 -177.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 587' ' ' ALA . . . . . 0.584 ' HB2' ' HB3' ' A' ' 584' ' ' ASN . . . -62.48 153.78 30.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.009 178.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -85.44 170.98 12.17 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.125 176.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.21 -46.22 79.56 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -172.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 590' ' ' ASP . . . . . 0.483 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 7.6 p-10 -67.53 -22.81 65.4 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -176.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.88 -49.31 78.2 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 172.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 592' ' ' PHE . . . . . 0.618 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 84.0 m-85 -67.36 -44.45 78.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.18 179.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . 0.483 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 53.1 mt-10 -60.46 -40.93 92.99 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.715 -177.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -69.37 -40.49 77.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.983 0.42 . . . . 0.0 110.321 177.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 595' ' ' LYS . . . . . 0.456 ' HG2' HG23 ' A' ' 577' ' ' VAL . 16.9 tppt? -61.79 -36.46 81.17 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.289 175.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 596' ' ' ARG . . . . . 0.507 ' HB2' HD23 ' A' ' 542' ' ' LEU . 28.5 ttp180 -60.25 -38.47 83.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.84 178.185 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . 0.575 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 28.5 mmmt -64.71 -40.29 95.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.889 176.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . 0.677 ' HB3' ' HZ1' ' A' ' 573' ' ' LYS . 49.1 mt-10 -60.12 -56.25 23.91 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.688 0.756 . . . . 0.0 110.868 177.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.689 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.5 tm? -59.79 -40.34 87.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.728 -1.124 . . . . 0.0 109.253 -177.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . 0.485 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 31.9 tt0 -55.99 -47.24 78.08 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.945 177.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 601' ' ' GLN . . . . . 0.575 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 15.3 mt-30 -69.23 -24.16 63.97 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.484 -0.486 . . . . 0.0 112.092 -176.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . 0.689 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.6 p -76.27 -40.87 36.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 119.946 -0.701 . . . . 0.0 110.677 176.092 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 603' ' ' CYS . . . . . 0.608 ' HB2' HD13 ' A' ' 607' ' ' ILE . 17.3 p -83.32 -28.38 29.09 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.55 -177.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 604' ' ' ASN . . . . . 0.543 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 10.0 t30 -50.71 -52.1 59.67 Favored Pre-proline 0 CA--C 1.539 0.537 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -176.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 605' ' ' PRO . . . . . 0.543 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 60.7 Cg_exo -55.82 -34.25 90.74 Favored 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 122.237 1.958 . . . . 0.0 112.262 177.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 606' ' ' ILE . . . . . 0.674 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -81.27 -40.37 18.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.283 -176.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 607' ' ' ILE . . . . . 0.608 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -66.44 -35.58 75.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.902 -179.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 69.0 m -66.32 -20.54 66.12 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 120.813 0.339 . . . . 0.0 111.23 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -98.9 -9.45 52.21 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.9 178.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 610' ' ' LEU . . . . . 0.73 HD21 ' HB ' ' A' ' 562' ' ' ILE . 65.4 mt . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.693 -0.67 . . . . 0.0 110.736 -178.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 538' ' ' ALA . . . . . 0.539 ' O ' ' HB2' ' A' ' 542' ' ' LEU . . . . . . . . 0 C--O 1.227 -0.112 0 CA-C-O 120.539 0.209 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . 0.64 ' HE3' HG22 ' A' ' 585' ' ' THR . 13.4 tmtt? -65.01 -45.99 83.25 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 176.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -63.82 -47.6 80.17 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.638 177.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -58.13 -48.24 80.84 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 178.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.658 HD12 HG21 ' A' ' 577' ' ' VAL . 0.2 OUTLIER -62.0 -46.75 87.87 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.239 -177.523 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 543' ' ' GLU . . . . . 0.505 ' CB ' HD13 ' A' ' 581' ' ' LEU . 11.2 tt0 -67.05 -44.72 79.45 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.217 -176.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 63.7 m -66.48 -32.23 73.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.397 177.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . 0.423 ' O ' ' HG2' ' A' ' 549' ' ' MET . 4.7 t80 -66.14 -50.24 64.65 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.86 -40.51 91.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.213 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -57.63 -42.77 84.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.531 174.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -64.06 -49.11 73.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.733 -178.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 549' ' ' MET . . . . . 0.423 ' HG2' ' O ' ' A' ' 545' ' ' TYR . 21.3 mmt -62.96 -43.21 99.43 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.307 0.575 . . . . 0.0 109.942 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 550' ' ' LYS . . . . . 0.577 ' HG3' HD23 ' A' ' 571' ' ' LEU . 4.6 ttmm -58.36 -48.24 81.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.264 175.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 50.8 m -66.28 -36.28 82.57 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.605 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -64.75 -45.18 87.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.859 0.361 . . . . 0.0 111.759 -176.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 553' ' ' VAL . . . . . 0.826 HG11 HG11 ' A' ' 570' ' ' VAL . 35.0 m -75.55 -36.66 35.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.213 0.53 . . . . 0.0 111.057 -178.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 554' ' ' GLU . . . . . 0.693 ' HG2' HD11 ' A' ' 571' ' ' LEU . 3.8 mm-40 -86.24 4.11 40.22 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.892 -178.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 555' ' ' ASP . . . . . 0.603 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 29.2 t70 -65.9 141.21 58.32 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.378 0.608 . . . . 0.0 111.435 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 556' ' ' GLU . . . . . 0.589 ' O ' ' HG2' ' A' ' 559' ' ' LYS . 9.0 pt-20 -70.94 -16.61 62.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.13 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -94.2 -41.22 4.34 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.414 -0.898 . . . . 0.0 111.223 177.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.66 ' HA ' ' HG3' ' A' ' 561' ' ' LYS . 14.9 mt -80.65 1.63 29.17 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.236 -0.482 . . . . 0.0 111.947 178.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . 0.589 ' HG2' ' O ' ' A' ' 556' ' ' GLU . 18.1 ptpt -64.22 127.45 31.51 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 175.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 95.0 -20.48 48.94 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.816 -177.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 561' ' ' LYS . . . . . 0.66 ' HG3' ' HA ' ' A' ' 558' ' ' LEU . 32.1 mmtm -74.15 -35.23 64.05 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 176.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . 0.764 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.9 tt -111.19 151.63 13.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.887 178.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 24.9 m -77.64 156.18 30.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.409 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -55.25 -47.42 75.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.75 0.31 . . . . 0.0 111.123 -176.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -59.0 -43.13 91.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.89 -175.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 566' ' ' ASP . . . . . 0.549 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 14.4 m-20 -67.14 -47.94 69.58 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -178.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.701 ' HE2' ' O ' ' A' ' 553' ' ' VAL . 35.8 ttmt -54.95 -48.9 72.59 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.454 176.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -62.25 -45.62 92.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.734 -177.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 569' ' ' LYS . . . . . 0.549 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 17.4 pttt -67.34 -44.16 79.75 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.725 -175.321 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 570' ' ' VAL . . . . . 0.826 HG11 HG11 ' A' ' 553' ' ' VAL . 12.5 p -70.03 -38.57 75.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.824 -177.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . 0.693 HD11 ' HG2' ' A' ' 554' ' ' GLU . 35.5 mt -61.59 -49.08 78.05 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.848 0.356 . . . . 0.0 110.087 176.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -59.91 -43.94 94.57 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.399 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 573' ' ' LYS . . . . . 0.617 ' CG ' HG11 ' A' ' 602' ' ' VAL . 49.5 tptt -64.85 -42.54 94.8 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.863 177.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 574' ' ' CYS . . . . . 0.471 ' SG ' HD21 ' A' ' 599' ' ' LEU . 98.1 m -62.79 -39.19 93.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.537 178.232 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -64.65 -37.52 87.88 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.819 176.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -58.63 -55.54 33.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.646 178.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 577' ' ' VAL . . . . . 0.658 HG21 HD12 ' A' ' 542' ' ' LEU . 1.4 p -66.73 -40.38 85.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.723 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 578' ' ' ILE . . . . . 0.955 ' HA ' HD12 ' A' ' 581' ' ' LEU . 14.1 mt -60.97 -40.63 86.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.638 0.256 . . . . 0.0 111.584 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 13.1 p -72.67 -27.95 62.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.958 0.409 . . . . 0.0 110.632 176.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 80.0 t90 -71.18 -38.66 72.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.471 176.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 581' ' ' LEU . . . . . 0.955 HD12 ' HA ' ' A' ' 578' ' ' ILE . 44.7 mt -59.31 -44.36 92.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.635 176.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -65.15 -31.01 71.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.351 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -85.81 -32.33 21.82 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.708 -176.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -118.34 53.11 0.98 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.699 -176.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 585' ' ' THR . . . . . 0.64 HG22 ' HE3' ' A' ' 539' ' ' LYS . 18.7 p -68.85 -17.35 63.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.339 0.59 . . . . 0.0 110.656 177.277 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 586' ' ' LEU . . . . . 0.468 HD22 ' N ' ' A' ' 586' ' ' LEU . 2.2 mm? -96.18 5.58 50.73 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.144 -0.934 . . . . 0.0 110.75 -175.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -68.41 158.65 33.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.244 176.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -89.22 168.8 11.98 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 176.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 589' ' ' LYS . . . . . 0.454 ' O ' ' HG3' ' A' ' 593' ' ' GLU . 20.1 pttm -56.11 -44.76 79.39 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -170.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 590' ' ' ASP . . . . . 0.474 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 2.5 p-10 -60.01 -29.22 68.33 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -177.294 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -61.32 -44.23 97.55 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.353 0.596 . . . . 0.0 109.672 174.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 592' ' ' PHE . . . . . 0.49 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 90.8 m-85 -70.04 -44.62 68.85 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.743 177.241 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . 0.586 ' O ' ' HG2' ' A' ' 597' ' ' LYS . 45.2 mt-10 -58.29 -36.23 73.02 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.806 -177.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . 0.434 ' O ' ' HB2' ' A' ' 597' ' ' LYS . 2.1 t-80 -71.39 -39.45 71.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.219 0.533 . . . . 0.0 109.956 177.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 595' ' ' LYS . . . . . 0.45 ' HA ' ' HD3' ' A' ' 595' ' ' LYS . 11.7 tppt? -65.75 -35.72 81.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.248 177.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 596' ' ' ARG . . . . . 0.56 ' HB2' HD21 ' A' ' 542' ' ' LEU . 7.6 ttp180 -57.98 -44.54 87.2 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 175.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . 0.586 ' HG2' ' O ' ' A' ' 593' ' ' GLU . 66.9 mmtt -54.43 -46.3 73.21 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.418 177.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . 0.479 ' HB3' ' NZ ' ' A' ' 573' ' ' LYS . 49.1 mt-10 -60.68 -53.99 50.67 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.5 0.667 . . . . 0.0 110.959 176.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.643 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.0 tm? -60.54 -39.73 88.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.925 -177.161 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . 0.534 ' HG3' ' O ' ' A' ' 596' ' ' ARG . 51.7 mt-10 -55.94 -46.14 78.59 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.636 175.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 601' ' ' GLN . . . . . 0.539 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 45.8 mt-30 -68.65 -27.75 66.27 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -176.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . 0.643 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.6 p -75.84 -40.44 39.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 120.219 -0.592 . . . . 0.0 110.482 177.25 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 603' ' ' CYS . . . . . 0.641 ' HB2' HD13 ' A' ' 607' ' ' ILE . 19.8 p -83.03 -26.86 30.78 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.485 -177.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 604' ' ' ASN . . . . . 0.62 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 27.8 t30 -49.18 -54.01 33.43 Favored Pre-proline 0 N--CA 1.472 0.663 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 -176.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 605' ' ' PRO . . . . . 0.62 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 52.2 Cg_exo -58.94 -32.68 97.91 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 122.009 1.806 . . . . 0.0 111.976 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 606' ' ' ILE . . . . . 0.764 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -81.23 -40.61 18.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 114.966 -1.015 . . . . 0.0 110.22 -177.244 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 607' ' ' ILE . . . . . 0.641 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -66.76 -30.85 51.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.076 178.01 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 30.3 t -62.97 -29.11 70.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.096 174.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -98.33 5.8 61.03 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.358 178.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 610' ' ' LEU . . . . . 0.585 HD22 HD22 ' A' ' 558' ' ' LEU . 60.7 mt . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.749 -0.643 . . . . 0.0 109.975 178.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 538' ' ' ALA . . . . . 0.426 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . . . . . . 0 N--CA 1.454 -0.226 0 CA-C-O 120.444 0.164 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . 0.556 ' NZ ' ' HB3' ' A' ' 581' ' ' LEU . 2.1 tmtm? -60.89 -49.78 76.06 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 176.31 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -62.07 -44.83 95.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.617 -178.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -62.87 -42.78 99.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.75 179.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.798 HD21 ' HB2' ' A' ' 596' ' ' ARG . 0.4 OUTLIER -65.32 -47.62 75.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.764 -177.908 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 543' ' ' GLU . . . . . 0.675 ' HG3' HD13 ' A' ' 581' ' ' LEU . 9.2 tt0 -66.9 -40.57 87.75 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.154 -176.404 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 39.6 m -66.29 -39.13 89.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.459 176.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . 0.571 ' CD1' HD12 ' A' ' 599' ' ' LEU . 2.6 t80 -62.45 -48.7 78.5 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 179.484 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.42 -44.3 87.81 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.233 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -56.78 -44.01 81.43 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.465 176.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -58.85 -48.88 79.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.793 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 549' ' ' MET . . . . . 0.464 ' HG2' ' O ' ' A' ' 545' ' ' TYR . 22.5 mmt -66.53 -42.39 87.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.291 0.567 . . . . 0.0 110.469 -179.129 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 550' ' ' LYS . . . . . 0.65 ' HG3' HD23 ' A' ' 571' ' ' LEU . 7.1 ttmm -61.53 -46.03 91.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.964 177.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 58.1 m -63.17 -36.16 82.72 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.584 176.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -65.81 -46.16 79.65 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.963 0.356 . . . . 0.0 111.963 -176.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 553' ' ' VAL . . . . . 0.791 HG11 HG11 ' A' ' 570' ' ' VAL . 34.6 m -76.83 -35.27 24.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.414 0.626 . . . . 0.0 111.542 -178.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 554' ' ' GLU . . . . . 0.697 ' HA ' ' HE3' ' A' ' 567' ' ' LYS . 0.6 OUTLIER -85.9 4.16 38.64 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.868 -179.415 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 555' ' ' ASP . . . . . 0.475 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 32.0 t70 -67.63 138.41 56.37 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.194 0.521 . . . . 0.0 110.777 178.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 556' ' ' GLU . . . . . 0.619 ' O ' ' HG2' ' A' ' 559' ' ' LYS . 40.0 mm-40 -70.0 -18.45 63.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.584 -0.734 . . . . 0.0 112.096 -176.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -91.26 -32.92 8.42 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.354 -0.927 . . . . 0.0 111.127 178.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 1.01 ' HA ' ' HD2' ' A' ' 561' ' ' LYS . 5.6 mt -86.69 2.28 49.11 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.439 -0.38 . . . . 0.0 111.846 179.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . 0.619 ' HG2' ' O ' ' A' ' 556' ' ' GLU . 6.6 ptpp? -64.23 130.08 42.46 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 174.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 91.04 -24.46 18.33 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.528 -0.844 . . . . 0.0 111.976 -175.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 561' ' ' LYS . . . . . 1.01 ' HD2' ' HA ' ' A' ' 558' ' ' LEU . 87.7 mttt -73.68 -39.32 64.49 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.333 0.587 . . . . 0.0 110.588 178.356 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . 0.72 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.4 tt -107.37 151.57 9.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.477 175.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 22.1 m -77.16 152.59 34.78 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -56.61 -43.73 80.44 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.142 0.276 . . . . 0.0 110.693 -176.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -58.27 -43.2 87.83 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.59 -177.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 566' ' ' ASP . . . . . 0.538 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 37.3 m-20 -67.57 -48.63 66.37 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.697 ' HE3' ' HA ' ' A' ' 554' ' ' GLU . 85.5 tttt -54.55 -48.0 72.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.668 176.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . 0.401 ' NZ ' ' HB3' ' A' ' 568' ' ' LYS . 10.1 mtpm? -61.93 -47.1 86.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.644 -178.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 569' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 18.0 ptmt -64.35 -44.68 90.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.426 -174.32 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 570' ' ' VAL . . . . . 0.791 HG11 HG11 ' A' ' 553' ' ' VAL . 13.8 p -70.82 -38.34 72.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.534 -179.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . 0.65 HD23 ' HG3' ' A' ' 550' ' ' LYS . 45.6 mt -61.25 -48.73 80.09 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.981 0.419 . . . . 0.0 110.003 176.218 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -60.87 -47.19 87.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.832 -179.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 573' ' ' LYS . . . . . 0.606 ' O ' HG12 ' A' ' 577' ' ' VAL . 49.9 tptt -65.85 -37.48 86.29 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.923 178.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 574' ' ' CYS . . . . . 0.598 ' SG ' HD12 ' A' ' 578' ' ' ILE . 4.7 t -59.48 -47.04 87.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.538 0.685 . . . . 0.0 109.944 175.114 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -59.7 -37.51 79.05 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.334 176.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -58.93 -55.47 34.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.706 0.289 . . . . 0.0 111.057 176.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 577' ' ' VAL . . . . . 0.75 HG21 HD12 ' A' ' 542' ' ' LEU . 1.0 OUTLIER -64.83 -42.45 94.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.09 -178.869 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 578' ' ' ILE . . . . . 0.927 ' HA ' HD12 ' A' ' 581' ' ' LEU . 30.2 mt -62.27 -41.47 91.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.865 0.364 . . . . 0.0 111.325 178.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 33.6 t -65.28 -38.44 90.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.278 0.561 . . . . 0.0 110.148 176.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 44.7 t90 -70.01 -35.3 74.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.847 179.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 581' ' ' LEU . . . . . 0.927 HD12 ' HA ' ' A' ' 578' ' ' ILE . 19.8 mt -59.05 -45.07 91.7 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.421 177.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -68.77 -33.09 73.3 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.187 178.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -80.78 -31.7 35.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.938 -176.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . 0.579 ' HB3' ' HB2' ' A' ' 587' ' ' ALA . 12.5 m120 -128.55 58.18 1.57 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.053 0.454 . . . . 0.0 110.786 -177.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.26 -19.54 64.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.383 0.611 . . . . 0.0 110.192 176.036 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 586' ' ' LEU . . . . . 0.475 HD22 ' N ' ' A' ' 586' ' ' LEU . 2.9 mm? -95.16 5.15 52.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.716 -177.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 587' ' ' ALA . . . . . 0.579 ' HB2' ' HB3' ' A' ' 584' ' ' ASN . . . -58.34 151.94 18.65 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -67.73 161.49 25.88 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.11 175.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -56.38 -44.36 80.12 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.194 0.521 . . . . 0.0 110.811 -176.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 590' ' ' ASP . . . . . 0.431 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 3.9 m-20 -61.54 -31.62 71.65 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.661 -177.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -61.38 -45.62 93.59 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 592' ' ' PHE . . . . . 0.54 ' O ' HD21 ' A' ' 542' ' ' LEU . 90.9 m-85 -65.89 -42.48 90.24 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.67 175.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . 0.491 ' O ' ' HG2' ' A' ' 597' ' ' LYS . 60.8 mm-40 -58.35 -42.73 87.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.215 -177.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -67.13 -38.69 85.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.002 0.429 . . . . 0.0 110.003 177.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 595' ' ' LYS . . . . . 0.549 ' HA ' ' HE3' ' A' ' 595' ' ' LYS . 0.4 OUTLIER -64.5 -36.16 83.31 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.725 179.521 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 596' ' ' ARG . . . . . 0.798 ' HB2' HD21 ' A' ' 542' ' ' LEU . 11.3 ttp180 -61.73 -41.95 98.32 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.058 -0.973 . . . . 0.0 109.815 177.254 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . 0.536 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 27.1 mmmt -67.1 -43.68 81.89 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.423 179.232 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -61.37 -51.18 69.86 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.574 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.715 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.4 tm? -60.19 -40.32 89.59 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 179.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . 0.482 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 30.1 tt0 -55.9 -48.69 75.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.881 175.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 601' ' ' GLN . . . . . 0.536 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 47.7 mt-30 -69.16 -22.44 63.93 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -178.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . 0.715 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.5 p -77.43 -40.51 28.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.099 176.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 603' ' ' CYS . . . . . 0.644 ' HB2' HD13 ' A' ' 607' ' ' ILE . 21.6 p -82.69 -27.12 31.45 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.472 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 604' ' ' ASN . . . . . 0.519 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 10.9 t30 -50.17 -50.43 69.94 Favored Pre-proline 0 CA--C 1.543 0.69 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -177.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 605' ' ' PRO . . . . . 0.519 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 50.1 Cg_exo -58.16 -25.62 72.33 Favored 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 122.27 1.98 . . . . 0.0 112.586 177.054 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 606' ' ' ILE . . . . . 0.72 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -91.39 -40.94 12.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.564 -177.758 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 607' ' ' ILE . . . . . 0.644 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -66.89 -30.21 48.87 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 C-N-CA 123.027 0.531 . . . . 0.0 111.008 -178.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 4.3 p -68.85 -11.25 60.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.511 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -115.43 -3.94 20.38 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.3 176.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 610' ' ' LEU . . . . . 0.656 HD21 ' HB ' ' A' ' 562' ' ' ILE . 60.4 mt . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.676 -0.678 . . . . 0.0 111.001 -178.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 538' ' ' ALA . . . . . 0.561 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 119.738 -0.172 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . 0.58 ' HZ3' HG23 ' A' ' 585' ' ' THR . 2.3 tmtm? -56.87 -49.24 76.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.952 0.406 . . . . 0.0 109.954 178.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -63.97 -47.87 78.71 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.921 -176.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 541' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' ' 545' ' ' TYR . . . -64.71 -38.51 91.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.711 179.03 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.686 HD12 HD21 ' A' ' 581' ' ' LEU . 2.0 tm? -66.26 -47.78 72.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.011 -177.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 543' ' ' GLU . . . . . 0.756 ' HG3' HD13 ' A' ' 581' ' ' LEU . 15.2 tt0 -68.44 -42.28 79.07 Favored 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -178.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 22.5 t -61.84 -35.23 77.65 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.908 177.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . 0.461 ' OH ' ' HG2' ' A' ' 600' ' ' GLU . 4.0 t80 -64.21 -49.13 73.21 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.027 179.018 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -66.3 -40.4 89.99 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.173 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -59.11 -42.27 90.14 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.726 174.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -64.05 -48.36 76.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.035 -177.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 549' ' ' MET . . . . . 0.41 ' HG3' ' CD1' ' A' ' 599' ' ' LEU . 17.6 mmt -64.39 -43.26 95.0 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.528 0.68 . . . . 0.0 110.018 179.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 550' ' ' LYS . . . . . 0.643 ' HG3' HD23 ' A' ' 571' ' ' LEU . 2.7 ttmm -59.0 -44.04 91.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.176 176.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 8.3 t -65.97 -36.54 83.6 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.841 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -64.18 -46.31 84.54 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -176.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 553' ' ' VAL . . . . . 0.771 HG11 HG11 ' A' ' 570' ' ' VAL . 33.8 m -76.71 -31.91 20.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.677 0.751 . . . . 0.0 111.195 -178.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 554' ' ' GLU . . . . . 0.571 ' HB2' ' O ' ' A' ' 550' ' ' LYS . 0.7 OUTLIER -87.01 5.62 36.45 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.067 -0.969 . . . . 0.0 111.729 178.489 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 555' ' ' ASP . . . . . 0.442 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 27.8 t70 -72.8 137.04 45.54 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.979 176.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -70.02 -14.5 62.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.359 -176.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -99.72 -18.0 24.28 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.177 -1.011 . . . . 0.0 111.608 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.676 HD22 HD22 ' A' ' 610' ' ' LEU . 13.5 mt -100.61 -5.61 26.47 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.673 -0.264 . . . . 0.0 111.644 178.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -67.56 125.04 24.9 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 171.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 100.25 -23.78 34.58 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.227 -172.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 561' ' ' LYS . . . . . 0.564 ' HG3' ' HA ' ' A' ' 558' ' ' LEU . 33.8 mmtm -77.84 -43.69 29.58 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.535 0.683 . . . . 0.0 109.301 173.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . 0.746 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.3 tt -105.59 149.49 8.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 CA-C-N 114.845 -1.071 . . . . 0.0 109.728 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 22.1 m -78.6 150.66 32.67 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -54.61 -41.5 70.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.55 0.214 . . . . 0.0 111.358 -173.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -58.21 -42.91 87.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.589 -177.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 566' ' ' ASP . . . . . 0.498 ' HB3' ' HB ' ' A' ' 606' ' ' ILE . 20.9 m-20 -69.31 -46.57 66.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.083 0.468 . . . . 0.0 109.938 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.519 ' NZ ' ' HA ' ' A' ' 554' ' ' GLU . 29.3 tttp -54.26 -47.86 71.83 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.609 175.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -66.56 -47.68 72.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.752 -178.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 569' ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 0.0 OUTLIER -60.97 -44.3 97.53 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 110.297 -0.261 . . . . 0.0 110.297 -175.383 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 570' ' ' VAL . . . . . 0.771 HG11 HG11 ' A' ' 553' ' ' VAL . 12.1 p -70.42 -43.2 78.36 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.232 -179.036 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . 0.643 HD23 ' HG3' ' A' ' 550' ' ' LYS . 41.6 mt -59.76 -45.56 91.85 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.787 0.327 . . . . 0.0 110.486 177.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 572' ' ' ASP . . . . . 0.467 ' O ' ' HG3' ' A' ' 576' ' ' GLU . 21.4 t70 -61.94 -47.99 82.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.254 -179.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 573' ' ' LYS . . . . . 0.611 ' O ' HG12 ' A' ' 577' ' ' VAL . 44.7 tptt -64.4 -41.88 96.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.063 178.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 574' ' ' CYS . . . . . 0.445 ' SG ' HD21 ' A' ' 599' ' ' LEU . 91.4 m -61.15 -38.64 87.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.043 0.449 . . . . 0.0 110.004 177.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . 0.438 HE21 ' CA ' ' A' ' 575' ' ' GLN . 0.0 OUTLIER -65.02 -39.36 93.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.141 176.476 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 576' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 572' ' ' ASP . 49.9 mt-10 -58.65 -56.16 25.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.088 0.47 . . . . 0.0 110.279 177.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 577' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 573' ' ' LYS . 2.1 p -66.34 -39.7 84.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.731 -177.124 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 578' ' ' ILE . . . . . 0.913 ' HA ' HD12 ' A' ' 581' ' ' LEU . 13.2 mt -61.63 -41.89 92.07 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 CA-C-O 120.865 0.365 . . . . 0.0 110.898 177.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 26.6 t -65.45 -35.58 81.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.189 0.518 . . . . 0.0 109.934 175.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 580' ' ' TRP . . . . . 0.65 ' CZ2' ' HG3' ' A' ' 591' ' ' GLU . 46.5 t90 -68.67 -37.22 79.46 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.851 178.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 581' ' ' LEU . . . . . 0.913 HD12 ' HA ' ' A' ' 578' ' ' ILE . 14.7 mt -57.96 -46.59 84.88 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.79 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -68.84 -21.97 64.25 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.646 178.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -90.66 -31.77 16.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.081 -175.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -125.5 47.18 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.431 -177.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 585' ' ' THR . . . . . 0.58 HG23 ' HZ3' ' A' ' 539' ' ' LYS . 0.2 OUTLIER -61.74 -23.04 65.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.27 177.266 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 586' ' ' LEU . . . . . 0.406 ' H ' HD22 ' A' ' 586' ' ' LEU . 1.0 OUTLIER -90.18 5.52 46.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.77 -175.746 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 587' ' ' ALA . . . . . 0.501 ' HB1' ' HB3' ' A' ' 591' ' ' GLU . . . -60.54 157.54 14.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.062 179.004 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -77.07 171.02 15.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.103 175.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 589' ' ' LYS . . . . . 0.923 ' HD3' ' H ' ' A' ' 589' ' ' LYS . 0.0 OUTLIER -56.47 -46.43 80.41 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.363 -176.475 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 590' ' ' ASP . . . . . 0.459 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 5.4 p-10 -66.33 -23.6 66.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.939 -175.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . 0.65 ' HG3' ' CZ2' ' A' ' 580' ' ' TRP . 7.9 tp10 -65.2 -46.21 81.62 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 178.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 592' ' ' PHE . . . . . 0.561 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 94.0 m-85 -68.72 -40.38 79.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.138 177.005 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . 0.459 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 5.8 mm-40 -59.87 -44.97 93.87 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.877 -179.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -67.65 -39.88 84.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.505 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 595' ' ' LYS . . . . . 0.45 ' HE2' ' HB2' ' A' ' 595' ' ' LYS . 8.4 tppt? -62.87 -35.04 78.69 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.149 0.5 . . . . 0.0 109.96 178.023 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 596' ' ' ARG . . . . . 0.482 ' O ' ' HG3' ' A' ' 600' ' ' GLU . 4.2 ttp85 -60.6 -42.89 97.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.948 178.053 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . 0.546 ' O ' ' HG2' ' A' ' 601' ' ' GLN . 26.7 mmmt -62.52 -41.88 99.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.382 176.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -59.46 -51.37 70.16 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.714 0.769 . . . . 0.0 110.541 177.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.662 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.1 tm? -59.68 -41.56 90.98 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.633 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . 0.548 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 38.6 mt-10 -56.17 -46.75 79.22 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.027 176.008 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 601' ' ' GLN . . . . . 0.546 ' HG2' ' O ' ' A' ' 597' ' ' LYS . 24.6 mm-40 -61.48 -30.36 70.55 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -178.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . 0.662 HG12 ' O ' ' A' ' 599' ' ' LEU . 0.8 OUTLIER -76.39 -41.62 35.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 120.203 -0.599 . . . . 0.0 111.273 178.176 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 603' ' ' CYS . . . . . 0.64 ' HB2' HD13 ' A' ' 607' ' ' ILE . 24.5 p -82.84 -26.54 31.56 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 111.538 0.199 . . . . 0.0 111.538 -177.138 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 604' ' ' ASN . . . . . 0.605 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 21.0 t30 -49.48 -53.29 42.02 Favored Pre-proline 0 N--CA 1.472 0.659 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -177.037 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 605' ' ' PRO . . . . . 0.605 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 52.9 Cg_exo -59.87 -22.96 70.66 Favored 'Trans proline' 0 C--N 1.357 0.985 0 C-N-CA 122.257 1.972 . . . . 0.0 112.285 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 606' ' ' ILE . . . . . 0.746 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -91.76 -40.87 12.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.316 -178.218 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 607' ' ' ILE . . . . . 0.64 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -67.07 -32.25 57.02 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.932 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 3.7 p -70.42 -18.46 63.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.968 0.413 . . . . 0.0 110.743 177.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -97.48 -4.06 58.35 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 111.605 -0.598 . . . . 0.0 111.605 175.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 610' ' ' LEU . . . . . 0.676 HD22 HD22 ' A' ' 558' ' ' LEU . 68.3 mt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.372 -0.823 . . . . 0.0 110.031 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 538' ' ' ALA . . . . . 0.511 ' O ' ' HB2' ' A' ' 542' ' ' LEU . . . . . . . . 0 CA--C 1.521 -0.17 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . 0.418 ' HE3' HG22 ' A' ' 585' ' ' THR . 13.0 tmtt? -64.46 -47.19 79.94 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 174.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -58.54 -47.94 82.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.724 177.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -61.65 -46.17 90.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 178.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.704 HD21 ' HB2' ' A' ' 596' ' ' ARG . 0.2 OUTLIER -61.7 -48.15 82.06 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.642 -176.841 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 543' ' ' GLU . . . . . 0.559 ' CB ' HD13 ' A' ' 581' ' ' LEU . 11.3 tt0 -68.69 -39.98 80.27 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.351 -176.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 23.6 m -64.76 -40.56 95.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.156 176.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . 0.526 ' O ' ' HG2' ' A' ' 549' ' ' MET . 2.4 t80 -61.59 -48.99 78.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.822 178.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.2 -43.25 92.18 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.423 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -58.62 -42.47 88.29 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.676 175.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -59.63 -49.87 76.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.391 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 549' ' ' MET . . . . . 0.526 ' HG2' ' O ' ' A' ' 545' ' ' TYR . 19.3 mmt -65.68 -44.02 87.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.228 0.537 . . . . 0.0 110.155 -178.457 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 550' ' ' LYS . . . . . 0.708 ' HG3' HD23 ' A' ' 571' ' ' LEU . 4.7 ttmm -60.15 -46.06 90.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.748 177.07 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 13.4 t -65.97 -37.01 84.88 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 178.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -65.59 -46.0 81.04 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -177.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 553' ' ' VAL . . . . . 0.77 HG11 HG11 ' A' ' 570' ' ' VAL . 34.4 m -75.84 -32.01 23.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.714 0.768 . . . . 0.0 111.096 -178.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 554' ' ' GLU . . . . . 0.61 ' HB2' ' O ' ' A' ' 550' ' ' LYS . 1.0 OUTLIER -89.2 4.71 47.73 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.954 178.525 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 555' ' ' ASP . . . . . 0.605 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 18.1 t70 -69.39 135.91 50.94 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.263 178.283 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -69.84 -10.09 57.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.256 -176.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -101.48 -32.03 5.31 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.68 -0.771 . . . . 0.0 111.364 176.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.738 ' HA ' ' HG3' ' A' ' 561' ' ' LYS . 15.7 mt -87.49 -3.5 59.0 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 179.024 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -69.06 130.21 42.11 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 174.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 95.88 -28.28 13.19 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.7 -0.762 . . . . 0.0 111.745 -173.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 561' ' ' LYS . . . . . 0.738 ' HG3' ' HA ' ' A' ' 558' ' ' LEU . 60.2 mmtt -69.57 -41.22 76.12 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 175.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . 0.656 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.6 tt -106.22 149.26 9.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.961 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 15.0 m -74.17 148.79 41.37 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.18 -40.14 70.35 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.628 -175.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -59.01 -43.48 91.56 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -178.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 566' ' ' ASP . . . . . 0.521 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 26.5 m-20 -68.63 -46.89 68.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.95 0.405 . . . . 0.0 109.922 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.462 ' NZ ' ' HA ' ' A' ' 554' ' ' GLU . 26.6 tttp -53.97 -48.02 70.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.661 175.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -65.07 -46.47 81.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.941 -178.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 569' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 0.0 OUTLIER -64.42 -44.94 89.62 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 121.145 -0.222 . . . . 0.0 110.458 -175.634 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 570' ' ' VAL . . . . . 0.77 HG11 HG11 ' A' ' 553' ' ' VAL . 12.0 p -70.43 -42.16 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.012 -177.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . 0.708 HD23 ' HG3' ' A' ' 550' ' ' LYS . 30.6 mt -57.39 -48.6 78.65 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.087 0.47 . . . . 0.0 110.23 177.104 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -61.55 -45.54 93.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.615 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 573' ' ' LYS . . . . . 0.611 ' CG ' HG11 ' A' ' 602' ' ' VAL . 49.1 tptt -65.48 -41.38 93.37 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.752 179.464 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 574' ' ' CYS . . . . . 0.533 ' SG ' HD21 ' A' ' 599' ' ' LEU . 68.7 m -59.3 -39.23 82.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.449 175.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -65.4 -36.69 84.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.934 176.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 576' ' ' GLU . . . . . 0.403 ' CD ' ' HZ2' ' A' ' 573' ' ' LYS . 0.7 OUTLIER -59.9 -56.35 22.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.973 0.416 . . . . 0.0 110.374 177.228 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 577' ' ' VAL . . . . . 0.655 HG21 HD12 ' A' ' 542' ' ' LEU . 1.4 p -66.27 -41.01 88.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.474 -178.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 578' ' ' ILE . . . . . 0.901 ' HA ' HD12 ' A' ' 581' ' ' LEU . 17.9 mt -60.91 -38.7 79.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.75 0.309 . . . . 0.0 111.02 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 29.1 t -68.46 -36.38 78.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.089 0.471 . . . . 0.0 110.201 174.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 82.9 t90 -69.64 -36.57 76.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.923 179.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 581' ' ' LEU . . . . . 0.901 HD12 ' HA ' ' A' ' 578' ' ' ILE . 48.7 mt -61.0 -47.21 87.53 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.914 178.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -68.7 -21.32 64.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.491 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -93.0 -31.35 14.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.781 -178.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . 0.421 ' HB3' ' HB2' ' A' ' 587' ' ' ALA . 13.5 m120 -122.5 58.89 1.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -178.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 585' ' ' THR . . . . . 0.418 HG22 ' HE3' ' A' ' 539' ' ' LYS . 40.0 p -72.93 -12.82 61.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.868 0.842 . . . . 0.0 109.298 174.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 586' ' ' LEU . . . . . 0.504 HD22 ' N ' ' A' ' 586' ' ' LEU . 1.9 mm? -93.94 0.02 55.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.335 -1.302 . . . . 0.0 110.432 -176.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 587' ' ' ALA . . . . . 0.421 ' HB2' ' HB3' ' A' ' 584' ' ' ASN . . . -66.71 153.34 43.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.733 -179.207 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -77.84 168.13 20.41 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.249 177.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -56.78 -46.15 81.68 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.912 0.387 . . . . 0.0 111.569 -174.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 590' ' ' ASP . . . . . 0.46 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 10.6 p-10 -67.39 -25.41 65.94 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.142 -177.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . 0.403 ' HB2' ' HB1' ' A' ' 587' ' ' ALA . 36.2 mm-40 -61.51 -47.03 87.46 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 174.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 592' ' ' PHE . . . . . 0.519 ' O ' HD21 ' A' ' 542' ' ' LEU . 98.5 m-85 -64.91 -44.93 87.94 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.03 176.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . 0.46 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 10.8 mm-40 -58.42 -38.07 76.67 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.803 0.335 . . . . 0.0 111.347 -176.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.68 -36.31 70.56 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 175.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 595' ' ' LYS . . . . . 0.474 ' HD3' ' HA ' ' A' ' 595' ' ' LYS . 14.1 tppt? -64.35 -37.22 86.75 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 121.105 0.479 . . . . 0.0 109.82 174.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 596' ' ' ARG . . . . . 0.704 ' HB2' HD21 ' A' ' 542' ' ' LEU . 39.0 ttp85 -59.46 -38.99 82.18 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.12 177.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . 0.637 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 59.8 mmtt -67.01 -39.77 87.15 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.726 177.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . 0.498 ' HB3' ' NZ ' ' A' ' 573' ' ' LYS . 39.3 mt-10 -60.21 -53.3 59.34 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.43 0.634 . . . . 0.0 110.475 175.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.697 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.1 tm? -61.71 -40.47 95.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.131 -0.941 . . . . 0.0 109.148 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . 0.465 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 31.8 tt0 -55.4 -46.39 76.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.828 177.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 601' ' ' GLN . . . . . 0.637 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 75.3 mt-30 -67.16 -29.99 69.84 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . 0.697 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.4 p -76.07 -40.55 37.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.76 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 603' ' ' CYS . . . . . 0.605 ' HB2' HD13 ' A' ' 607' ' ' ILE . 20.0 p -82.96 -26.37 31.42 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.375 -178.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 604' ' ' ASN . . . . . 0.618 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 40.0 t30 -49.51 -52.39 50.39 Favored Pre-proline 0 CA--C 1.541 0.621 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -176.596 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 605' ' ' PRO . . . . . 0.618 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 49.2 Cg_exo -60.63 -25.83 81.65 Favored 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 122.323 2.015 . . . . 0.0 112.307 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 606' ' ' ILE . . . . . 0.656 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -89.58 -41.15 13.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.288 -177.289 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 607' ' ' ILE . . . . . 0.612 ' N ' HG12 ' A' ' 606' ' ' ILE . 1.2 mp -68.56 -33.6 60.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.843 -179.449 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 8.4 p -70.23 -9.87 57.19 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.842 0.354 . . . . 0.0 110.789 177.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -112.15 7.56 27.05 Favored Glycine 0 N--CA 1.45 -0.418 0 N-CA-C 111.505 -0.638 . . . . 0.0 111.505 175.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 610' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 606' ' ' ILE . 58.7 mt . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.503 -0.76 . . . . 0.0 110.194 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 538' ' ' ALA . . . . . 0.509 ' O ' ' HB2' ' A' ' 542' ' ' LEU . . . . . . . . 0 C--O 1.225 -0.231 0 CA-C-O 120.398 0.142 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . 0.453 ' HE2' ' HB3' ' A' ' 581' ' ' LEU . 13.4 tmtt? -60.86 -41.12 95.26 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 179.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -68.05 -47.07 69.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.703 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -62.61 -39.84 95.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.735 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.509 ' HB2' ' O ' ' A' ' 538' ' ' ALA . 0.2 OUTLIER -66.73 -47.32 72.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.011 -177.257 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -62.66 -48.1 80.81 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.26 -45.8 83.68 Favored 'General case' 0 C--O 1.213 -0.827 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.506 177.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . 0.455 ' O ' ' HG2' ' A' ' 549' ' ' MET . 3.5 t80 -59.49 -47.27 86.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 110.086 -176.303 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.63 -41.51 92.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.284 178.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -58.94 -43.62 91.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.311 174.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -59.74 -49.36 78.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.312 -178.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 549' ' ' MET . . . . . 0.455 ' HG2' ' O ' ' A' ' 545' ' ' TYR . 19.5 mmt -66.07 -44.59 84.07 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 121.279 0.561 . . . . 0.0 110.212 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 550' ' ' LYS . . . . . 0.604 ' HG3' HD23 ' A' ' 571' ' ' LEU . 3.5 ttmm -57.87 -45.93 85.59 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.268 177.166 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 16.4 t -66.84 -36.14 81.66 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.88 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -62.73 -45.78 91.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.527 -177.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 553' ' ' VAL . . . . . 0.851 HG11 HG11 ' A' ' 570' ' ' VAL . 33.2 m -76.63 -35.68 26.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.431 0.634 . . . . 0.0 111.362 -178.223 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 554' ' ' GLU . . . . . 0.686 ' HG2' HD11 ' A' ' 571' ' ' LEU . 0.2 OUTLIER -85.6 4.43 36.25 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.811 179.47 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 555' ' ' ASP . . . . . 0.469 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 12.8 t70 -69.23 136.78 52.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.559 172.082 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 556' ' ' GLU . . . . . 0.883 ' HA ' ' HD2' ' A' ' 559' ' ' LYS . 63.7 mm-40 -69.79 -10.93 60.26 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -173.233 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -101.61 -37.23 3.54 Favored Glycine 0 N--CA 1.441 -0.995 0 C-N-CA 119.766 -1.207 . . . . 0.0 111.119 176.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.935 HD23 ' HD2' ' A' ' 561' ' ' LYS . 15.7 mt -80.48 -14.47 58.24 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.817 0.341 . . . . 0.0 111.232 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . 0.883 ' HD2' ' HA ' ' A' ' 556' ' ' GLU . 15.4 ptmt -64.61 -22.6 67.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 178.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . -98.19 3.83 60.24 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.631 175.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 561' ' ' LYS . . . . . 0.935 ' HD2' HD23 ' A' ' 558' ' ' LEU . 78.3 mttt -104.94 -29.09 10.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.333 0.587 . . . . 0.0 110.461 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . 0.852 ' HB ' HD21 ' A' ' 610' ' ' LEU . 5.5 tt -106.22 153.49 7.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.175 179.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . 0.427 ' HB3' ' OD2' ' A' ' 566' ' ' ASP . 42.0 t -76.68 146.69 37.93 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 175.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -56.03 -38.91 71.18 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.978 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -58.99 -43.03 91.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.024 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 566' ' ' ASP . . . . . 0.573 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 20.7 m-20 -70.47 -46.94 62.81 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 179.107 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.639 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 83.8 tttt -54.66 -48.8 71.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.005 177.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -62.6 -47.17 84.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.294 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 569' ' ' LYS . . . . . 0.573 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 19.1 pttt -66.29 -43.44 86.36 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.607 -173.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 570' ' ' VAL . . . . . 0.851 HG11 HG11 ' A' ' 553' ' ' VAL . 12.6 p -70.07 -40.48 78.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.883 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . 0.686 HD11 ' HG2' ' A' ' 554' ' ' GLU . 31.7 mt -60.14 -46.11 90.76 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.652 0.263 . . . . 0.0 110.688 177.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -64.64 -45.44 86.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.203 0.525 . . . . 0.0 109.777 -179.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 573' ' ' LYS . . . . . 0.601 ' O ' HG12 ' A' ' 577' ' ' VAL . 51.2 tptt -62.09 -41.01 97.75 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.854 177.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 574' ' ' CYS . . . . . 0.447 ' SG ' HD21 ' A' ' 599' ' ' LEU . 98.1 m -63.52 -39.56 94.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.704 177.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -63.47 -39.09 93.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.532 174.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 576' ' ' GLU . . . . . 0.425 ' HB3' ' O ' ' A' ' 573' ' ' LYS . 3.4 tt0 -58.87 -55.62 32.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.789 178.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 577' ' ' VAL . . . . . 0.601 HG12 ' O ' ' A' ' 573' ' ' LYS . 1.5 p -66.11 -41.48 89.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.45 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 578' ' ' ILE . . . . . 0.93 ' HA ' HD12 ' A' ' 581' ' ' LEU . 15.8 mt -61.07 -39.46 82.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.534 0.207 . . . . 0.0 111.415 -179.052 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 16.9 t -70.16 -34.82 73.49 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 175.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 82.7 t90 -67.09 -35.53 80.0 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.694 179.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 581' ' ' LEU . . . . . 0.93 HD12 ' HA ' ' A' ' 578' ' ' ILE . 31.6 mt -63.74 -48.1 78.39 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.333 178.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -68.86 -27.11 65.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.572 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -86.6 -32.21 20.75 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.858 -176.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -113.86 58.97 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.132 0.492 . . . . 0.0 111.009 -177.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 69.4 p -73.73 -12.44 60.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.943 0.878 . . . . 0.0 109.181 174.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 586' ' ' LEU . . . . . 0.502 HD22 ' N ' ' A' ' 586' ' ' LEU . 2.0 mm? -90.16 5.07 48.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.432 -1.258 . . . . 0.0 110.238 -179.278 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 587' ' ' ALA . . . . . 0.468 ' HB1' ' HB2' ' A' ' 591' ' ' GLU . . . -74.51 161.54 29.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.766 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -90.07 167.83 12.45 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 175.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -60.28 -39.19 86.02 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.682 0.753 . . . . 0.0 109.801 -175.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 590' ' ' ASP . . . . . 0.413 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 4.8 m-20 -61.78 -30.65 70.94 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.503 -1.226 . . . . 0.0 111.896 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . 0.468 ' HB2' ' HB1' ' A' ' 587' ' ' ALA . 12.1 mm-40 -63.83 -42.97 97.52 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.438 0.637 . . . . 0.0 109.314 178.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -66.15 -41.12 90.85 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.549 175.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . 0.444 ' HA ' ' OE1' ' A' ' 593' ' ' GLU . 5.0 mm-40 -59.51 -38.84 81.98 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.647 -179.14 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . 0.467 ' O ' ' HG3' ' A' ' 598' ' ' GLU . 29.1 m170 -68.53 -42.7 78.11 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 176.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 595' ' ' LYS . . . . . 0.435 ' HG2' HG23 ' A' ' 577' ' ' VAL . 11.4 tppt? -64.13 -35.53 81.08 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.212 179.288 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 596' ' ' ARG . . . . . 0.459 ' HB2' HD21 ' A' ' 542' ' ' LEU . 12.7 ttp85 -60.14 -37.23 79.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.407 176.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . 0.563 ' O ' ' HG2' ' A' ' 601' ' ' GLN . 43.8 mmtm -66.53 -46.36 76.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.385 173.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 594' ' ' HIS . 53.1 mt-10 -59.41 -55.82 29.79 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.555 0.693 . . . . 0.0 111.332 -177.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.705 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.6 tm? -59.07 -40.77 86.21 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.515 -179.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . 0.629 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 36.5 tt0 -59.79 -41.76 91.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.777 177.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 601' ' ' GLN . . . . . 0.563 ' HG2' ' O ' ' A' ' 597' ' ' LYS . 26.4 mm-40 -62.98 -30.94 71.98 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 179.144 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . 0.705 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.4 p -75.42 -40.4 42.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.928 178.163 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 603' ' ' CYS . . . . . 0.629 ' SG ' ' HA ' ' A' ' 600' ' ' GLU . 24.1 p -82.96 -27.08 30.75 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -177.522 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 604' ' ' ASN . . . . . 0.612 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 20.9 t30 -49.58 -54.02 35.16 Favored Pre-proline 0 N--CA 1.471 0.622 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -176.249 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 605' ' ' PRO . . . . . 0.612 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 47.3 Cg_exo -60.7 -24.22 78.13 Favored 'Trans proline' 0 C--N 1.356 0.93 0 C-N-CA 122.056 1.837 . . . . 0.0 112.324 179.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 606' ' ' ILE . . . . . 0.717 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -87.67 -40.83 14.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.888 -179.509 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 607' ' ' ILE . . . . . 0.625 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.4 mp -66.02 -27.72 41.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.673 177.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 33.4 t -65.03 -13.06 56.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.681 176.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -120.84 5.88 11.34 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.082 176.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 610' ' ' LEU . . . . . 0.852 HD21 ' HB ' ' A' ' 562' ' ' ILE . 68.4 mt . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.551 -179.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 538' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.107 0 CA-C-O 120.518 0.199 . . . . 0.0 111.378 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . 0.621 ' HG2' HD22 ' A' ' 581' ' ' LEU . 10.0 tmtt? -66.99 -39.79 87.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.757 0.313 . . . . 0.0 110.741 -177.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -64.42 -45.78 86.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.192 178.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 541' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' ' 545' ' ' TYR . . . -59.97 -45.25 93.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.626 176.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.687 HD21 ' HB2' ' A' ' 596' ' ' ARG . 0.2 OUTLIER -66.87 -48.45 68.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.847 -175.237 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 543' ' ' GLU . . . . . 0.586 ' CB ' HD13 ' A' ' 581' ' ' LEU . 17.5 tt0 -68.67 -41.04 79.81 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 -176.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 36.0 m -65.83 -35.49 80.81 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.241 176.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . 0.463 ' OH ' ' HG2' ' A' ' 600' ' ' GLU . 3.2 t80 -62.62 -49.44 75.18 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 177.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -66.18 -42.0 89.48 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.568 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -57.54 -41.85 81.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.428 174.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 51.3 m-20 -60.45 -50.16 74.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.914 -179.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 549' ' ' MET . . . . . 0.425 ' HG2' ' O ' ' A' ' 545' ' ' TYR . 18.2 mmt -66.94 -43.18 83.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.339 0.59 . . . . 0.0 110.016 -178.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 550' ' ' LYS . . . . . 0.564 ' HG3' HD23 ' A' ' 571' ' ' LEU . 3.4 ttmm -58.84 -48.55 80.93 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.285 176.41 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 5.3 t -65.85 -35.51 80.88 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.514 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -64.24 -45.94 85.97 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.987 0.365 . . . . 0.0 111.987 -178.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 553' ' ' VAL . . . . . 0.745 HG11 HG11 ' A' ' 570' ' ' VAL . 33.8 m -76.71 -32.83 21.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.391 0.615 . . . . 0.0 111.286 -179.261 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 554' ' ' GLU . . . . . 0.576 ' HG2' HD11 ' A' ' 571' ' ' LEU . 1.2 mm-40 -89.36 4.48 48.81 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.766 178.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 555' ' ' ASP . . . . . 0.626 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 18.1 t70 -65.12 137.58 57.75 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.557 177.137 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -71.62 -13.06 61.65 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.29 -177.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -101.98 -23.36 9.26 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 119.94 -1.124 . . . . 0.0 111.602 178.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.626 ' HB2' ' HB3' ' A' ' 555' ' ' ASP . 13.8 mt -93.06 -2.73 55.29 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.781 0.324 . . . . 0.0 111.279 177.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -68.67 120.8 15.23 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 174.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 109.25 -33.65 6.0 Favored Glycine 0 N--CA 1.448 -0.52 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 -172.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 561' ' ' LYS . . . . . 0.494 ' HG3' HD23 ' A' ' 558' ' ' LEU . 27.4 mmtt -65.87 -45.9 80.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.323 0.582 . . . . 0.0 110.851 176.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . 0.699 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.3 tt -105.66 147.37 11.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.355 -0.838 . . . . 0.0 110.157 -176.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . 0.417 ' HB3' ' OD2' ' A' ' 566' ' ' ASP . 33.0 t -72.61 147.95 45.33 Favored 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 176.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -61.35 -31.37 71.25 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.58 -175.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -61.94 -43.62 98.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 123.211 0.319 . . . . 0.0 111.018 177.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 566' ' ' ASP . . . . . 0.44 ' HB3' ' HB ' ' A' ' 606' ' ' ILE . 13.4 m-20 -68.01 -46.52 71.0 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.53 0.681 . . . . 0.0 109.28 178.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 26.2 tttp -54.24 -48.72 70.8 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.624 -1.171 . . . . 0.0 111.161 175.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -63.3 -47.77 80.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.523 -178.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 569' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 17.8 ptmt -63.79 -44.57 92.95 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.208 -174.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 570' ' ' VAL . . . . . 0.745 HG11 HG11 ' A' ' 553' ' ' VAL . 11.1 p -70.5 -41.36 78.1 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.284 -179.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . 0.576 HD11 ' HG2' ' A' ' 554' ' ' GLU . 36.1 mt -60.29 -46.18 90.77 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.971 0.415 . . . . 0.0 110.353 177.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -60.29 -47.52 85.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.711 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 573' ' ' LYS . . . . . 0.6 ' CG ' HG11 ' A' ' 602' ' ' VAL . 50.1 tptt -66.21 -39.54 89.69 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.063 179.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 574' ' ' CYS . . . . . 0.441 ' SG ' HD21 ' A' ' 599' ' ' LEU . 97.9 m -62.23 -37.85 86.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.164 0.507 . . . . 0.0 110.09 176.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -65.79 -36.58 83.93 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.275 175.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -59.0 -56.07 27.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.586 176.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 577' ' ' VAL . . . . . 0.614 HG21 HD12 ' A' ' 542' ' ' LEU . 1.0 OUTLIER -65.05 -43.45 95.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.309 -179.284 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 578' ' ' ILE . . . . . 0.917 ' HA ' HD12 ' A' ' 581' ' ' LEU . 20.9 mt -61.35 -38.23 79.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -179.071 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 31.3 t -70.77 -33.51 70.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.171 0.51 . . . . 0.0 109.886 176.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 79.2 t90 -69.7 -38.55 76.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.654 178.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 581' ' ' LEU . . . . . 0.917 HD12 ' HA ' ' A' ' 578' ' ' ILE . 34.6 mt -60.93 -42.65 98.58 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.895 177.356 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -66.98 -30.85 71.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.155 -0.929 . . . . 0.0 110.327 178.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -84.38 -31.84 24.51 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.48 -177.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . 0.777 ' HB3' ' HB2' ' A' ' 587' ' ' ALA . 86.6 m-20 -124.1 55.18 1.3 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.473 -178.377 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -66.58 -19.15 65.71 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.833 178.254 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 586' ' ' LEU . . . . . 0.454 HD22 ' N ' ' A' ' 586' ' ' LEU . 1.5 mm? -104.53 7.22 35.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.192 -175.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 587' ' ' ALA . . . . . 0.777 ' HB2' ' HB3' ' A' ' 584' ' ' ASN . . . -57.02 158.38 5.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.666 -179.109 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -80.03 163.32 24.29 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.615 177.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -56.7 -45.84 81.58 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -170.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 590' ' ' ASP . . . . . 0.601 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 3.6 p30 -63.17 -27.03 69.09 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -178.078 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -61.48 -48.4 81.26 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 175.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 592' ' ' PHE . . . . . 0.442 ' CZ ' ' HB3' ' A' ' 587' ' ' ALA . 92.9 m-85 -66.88 -42.92 84.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.069 176.177 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . 0.601 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 10.0 mm-40 -59.69 -40.61 88.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.846 -176.349 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 27.9 m80 -67.38 -39.59 85.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.846 0.355 . . . . 0.0 110.345 175.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 595' ' ' LYS . . . . . 0.594 ' HA ' ' HE3' ' A' ' 595' ' ' LYS . 0.3 OUTLIER -62.55 -37.33 85.7 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.251 177.301 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 596' ' ' ARG . . . . . 0.687 ' HB2' HD21 ' A' ' 542' ' ' LEU . 31.0 ttp85 -60.01 -47.42 85.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.951 178.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . 0.587 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 25.6 mmmt -58.3 -44.62 88.65 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.756 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.28 -50.87 71.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.379 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.644 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.3 tm? -59.5 -41.7 90.46 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.72 -178.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . 0.662 ' HG3' ' O ' ' A' ' 596' ' ' ARG . 50.5 mt-10 -59.4 -38.74 81.33 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.012 177.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 601' ' ' GLN . . . . . 0.587 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 74.0 mt-30 -63.86 -37.24 86.66 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.625 0.232 . . . . 0.0 111.625 178.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . 0.644 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.7 p -73.92 -39.26 51.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.16 -177.182 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 603' ' ' CYS . . . . . 0.653 ' HB2' HD13 ' A' ' 607' ' ' ILE . 21.6 p -83.18 -25.96 31.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.599 -178.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 604' ' ' ASN . . . . . 0.617 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 17.2 t30 -49.19 -54.73 26.35 Favored Pre-proline 0 N--CA 1.475 0.796 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -176.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 605' ' ' PRO . . . . . 0.617 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 50.9 Cg_exo -58.95 -25.65 78.22 Favored 'Trans proline' 0 C--N 1.358 1.039 0 C-N-CA 122.152 1.901 . . . . 0.0 112.488 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 606' ' ' ILE . . . . . 0.699 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -89.42 -41.05 13.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.217 -177.444 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 607' ' ' ILE . . . . . 0.653 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.2 mp -68.38 -30.58 48.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 C-N-CA 123.131 0.572 . . . . 0.0 111.394 -177.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 4.6 t -64.54 -22.24 66.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.608 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -114.68 22.76 12.65 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.196 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 610' ' ' LEU . . . . . 0.558 HD21 ' HB ' ' A' ' 562' ' ' ILE . 33.9 mt . . . . . 0 C--O 1.251 1.155 0 CA-C-O 118.417 -0.802 . . . . 0.0 110.641 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 538' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.937 0.398 . . . . 0.0 110.108 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . 0.674 ' NZ ' ' HB3' ' A' ' 581' ' ' LEU . 3.3 tmtm? -56.53 -47.8 78.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.377 174.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -63.68 -47.03 82.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.829 -178.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 541' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' A' ' 545' ' ' TYR . . . -58.68 -42.26 88.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.763 178.317 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.766 HD12 HG21 ' A' ' 577' ' ' VAL . 0.5 OUTLIER -65.52 -47.09 77.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.052 -177.305 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 543' ' ' GLU . . . . . 0.829 ' HG3' HD13 ' A' ' 581' ' ' LEU . 5.2 tt0 -65.48 -47.43 76.1 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.204 -177.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 21.0 t -57.24 -43.7 83.18 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.723 176.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . 0.499 ' CD1' HD12 ' A' ' 599' ' ' LEU . 3.2 t80 -62.96 -48.6 78.17 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.15 0.5 . . . . 0.0 109.861 -177.248 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -64.85 -42.44 94.89 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.296 179.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.85 -42.1 83.77 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.433 174.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -59.76 -50.27 74.48 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.559 -178.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 549' ' ' MET . . . . . 0.462 ' HG3' ' CD1' ' A' ' 599' ' ' LEU . 22.3 mmt -67.14 -43.55 82.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.299 0.571 . . . . 0.0 110.506 -179.231 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 550' ' ' LYS . . . . . 0.643 ' HG3' HD23 ' A' ' 571' ' ' LEU . 4.7 ttmm -58.76 -47.42 84.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.815 177.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 7.6 t -66.34 -35.75 81.14 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.006 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -63.67 -46.3 86.21 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -177.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 553' ' ' VAL . . . . . 0.8 HG11 HG11 ' A' ' 570' ' ' VAL . 32.8 m -76.25 -31.81 21.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.639 0.733 . . . . 0.0 111.237 -178.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 554' ' ' GLU . . . . . 0.567 ' HG2' HD11 ' A' ' 571' ' ' LEU . 1.3 mm-40 -89.23 3.9 50.45 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.701 178.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 555' ' ' ASP . . . . . 0.53 ' O ' ' HG2' ' A' ' 559' ' ' LYS . 34.1 t70 -67.15 140.17 57.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.052 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 556' ' ' GLU . . . . . 0.447 ' HA ' ' HD3' ' A' ' 559' ' ' LYS . 5.4 pt-20 -69.48 -11.78 61.11 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.305 -0.861 . . . . 0.0 112.555 -175.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -101.79 -19.75 14.62 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.153 177.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.504 HD23 ' HG3' ' A' ' 561' ' ' LYS . 12.7 mt -101.87 5.09 40.83 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -177.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' A' ' 555' ' ' ASP . 12.3 mmmt -48.4 -46.91 37.88 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 123.452 0.701 . . . . 0.0 112.835 -172.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . -102.23 -2.93 51.24 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.228 -178.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 561' ' ' LYS . . . . . 0.504 ' HG3' HD23 ' A' ' 558' ' ' LEU . 58.6 mmtt -69.75 -37.79 76.57 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.939 0.4 . . . . 0.0 111.114 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . 0.773 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.9 tt -106.26 155.52 7.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.168 -179.282 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . 0.471 ' HB2' ' OD2' ' A' ' 566' ' ' ASP . 4.8 m -74.24 149.79 40.62 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 178.056 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -56.57 -43.01 79.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.767 0.318 . . . . 0.0 110.435 -178.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -59.78 -43.7 94.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.776 -177.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 566' ' ' ASP . . . . . 0.648 ' HB3' ' HB ' ' A' ' 606' ' ' ILE . 22.4 m-20 -66.84 -47.13 72.92 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 121.197 0.522 . . . . 0.0 109.84 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.435 ' NZ ' ' HA ' ' A' ' 554' ' ' GLU . 30.0 tttp -54.43 -48.56 71.52 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.97 -1.013 . . . . 0.0 111.118 175.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -65.02 -46.71 80.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.581 -177.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 569' ' ' LYS . . . . . 0.526 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 0.0 OUTLIER -63.35 -44.21 95.48 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.343 -174.38 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 570' ' ' VAL . . . . . 0.8 HG11 HG11 ' A' ' 553' ' ' VAL . 11.5 p -70.48 -43.52 77.9 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.055 -178.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . 0.643 HD23 ' HG3' ' A' ' 550' ' ' LYS . 35.7 mt -57.36 -48.19 79.65 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.741 0.305 . . . . 0.0 110.633 178.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -66.03 -40.77 91.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.339 -176.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 573' ' ' LYS . . . . . 0.603 ' CG ' HG11 ' A' ' 602' ' ' VAL . 47.4 tptt -68.65 -38.71 80.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.8 177.239 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 574' ' ' CYS . . . . . 0.509 ' SG ' HD21 ' A' ' 599' ' ' LEU . 66.0 m -61.33 -40.14 93.12 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.043 0.449 . . . . 0.0 110.068 176.215 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -67.31 -35.73 80.03 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.232 175.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 576' ' ' GLU . . . . . 0.414 ' HB3' ' O ' ' A' ' 573' ' ' LYS . 0.1 OUTLIER -58.2 -55.02 40.36 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.302 176.712 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 577' ' ' VAL . . . . . 0.766 HG21 HD12 ' A' ' 542' ' ' LEU . 1.2 p -66.38 -40.12 85.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.275 179.08 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 578' ' ' ILE . . . . . 0.975 ' HA ' HD12 ' A' ' 581' ' ' LEU . 23.0 mt -61.82 -40.8 88.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.678 0.275 . . . . 0.0 111.293 179.148 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 32.6 t -71.73 -32.28 67.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.932 0.396 . . . . 0.0 110.225 175.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 56.5 t90 -67.57 -37.86 83.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.428 0.632 . . . . 0.0 109.385 177.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 581' ' ' LEU . . . . . 0.975 HD12 ' HA ' ' A' ' 578' ' ' ILE . 17.7 mt -60.53 -46.4 90.32 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.722 176.071 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -62.76 -31.23 72.15 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.476 178.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -85.8 -31.32 22.39 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.968 -1.014 . . . . 0.0 111.997 -175.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -128.47 65.75 1.4 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.518 -174.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 25.5 p -77.47 -12.22 59.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.967 0.889 . . . . 0.0 109.074 171.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 586' ' ' LEU . . . . . 0.547 HD22 ' N ' ' A' ' 586' ' ' LEU . 1.9 mm? -87.06 -4.71 59.18 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.011 -1.45 . . . . 0.0 110.087 -178.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 587' ' ' ALA . . . . . 0.429 ' HB1' ' HB2' ' A' ' 591' ' ' GLU . . . -66.43 154.68 39.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.859 -178.544 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -87.58 169.01 12.54 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.291 175.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -55.71 -43.37 76.45 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -171.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 590' ' ' ASP . . . . . 0.718 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 15.1 t70 -62.99 -28.23 69.95 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -176.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . 0.429 ' HB2' ' HB1' ' A' ' 587' ' ' ALA . 10.1 mm-40 -61.3 -44.79 96.62 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.36 0.6 . . . . 0.0 109.462 174.113 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 592' ' ' PHE . . . . . 0.547 ' O ' HD21 ' A' ' 542' ' ' LEU . 77.3 m-85 -70.42 -41.16 73.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.733 176.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . 0.718 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 34.6 mm-40 -58.48 -44.94 89.52 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.32 -177.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 10.3 m80 -69.34 -36.28 76.76 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.831 176.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 595' ' ' LYS . . . . . 0.441 ' HD3' ' HA ' ' A' ' 595' ' ' LYS . 6.3 tppt? -64.41 -36.58 84.61 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.148 0.499 . . . . 0.0 110.224 177.288 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 596' ' ' ARG . . . . . 0.733 ' HB2' HD21 ' A' ' 542' ' ' LEU . 54.3 ttp85 -60.69 -38.61 85.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.369 176.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . 0.666 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 71.7 mmtt -67.4 -45.06 77.27 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.655 176.183 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -59.47 -52.07 67.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.426 0.632 . . . . 0.0 111.128 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.684 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.4 tm? -60.36 -39.76 88.32 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.584 -179.4 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . 0.592 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 39.6 tt0 -60.56 -39.04 86.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.18 177.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 601' ' ' GLN . . . . . 0.666 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 69.2 mt-30 -68.8 -32.2 71.75 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 179.258 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . 0.684 HG12 ' O ' ' A' ' 599' ' ' LEU . 2.5 p -75.48 -37.32 37.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.261 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 603' ' ' CYS . . . . . 0.659 ' HB2' HD13 ' A' ' 607' ' ' ILE . 27.4 p -83.08 -26.37 31.15 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.64 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 604' ' ' ASN . . . . . 0.625 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 26.2 t30 -49.9 -53.05 46.61 Favored Pre-proline 0 N--CA 1.474 0.741 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 -175.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 605' ' ' PRO . . . . . 0.625 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 51.5 Cg_exo -58.98 -27.11 83.97 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 122.206 1.938 . . . . 0.0 112.074 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 606' ' ' ILE . . . . . 0.773 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -87.33 -41.58 14.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.315 -177.857 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 607' ' ' ILE . . . . . 0.659 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -67.24 -34.36 68.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 C-N-CA 122.975 0.51 . . . . 0.0 111.005 -178.455 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 7.9 p -69.46 -17.54 63.64 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.88 0.372 . . . . 0.0 110.99 178.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -106.31 13.23 43.96 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.027 -0.606 . . . . 0.0 111.768 176.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 610' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 606' ' ' ILE . 36.6 mt . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.533 -0.746 . . . . 0.0 110.452 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 538' ' ' ALA . . . . . 0.561 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . . . . . . 0 N--CA 1.455 -0.202 0 N-CA-C 110.348 -0.241 . . . . 0.0 110.348 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . 0.574 ' HG2' HD22 ' A' ' 581' ' ' LEU . 11.5 tmtt? -68.53 -42.52 78.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.587 0.708 . . . . 0.0 109.648 178.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -58.18 -47.47 83.3 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.191 178.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -66.03 -43.54 87.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.668 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.687 HD21 ' HB2' ' A' ' 596' ' ' ARG . 0.4 OUTLIER -60.37 -46.86 88.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.502 -178.21 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 543' ' ' GLU . . . . . 0.479 ' HG3' HD13 ' A' ' 581' ' ' LEU . 3.2 tt0 -64.4 -48.95 73.46 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.52 -177.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 544' ' ' SER . . . . . 0.578 ' O ' ' HB2' ' A' ' 548' ' ' ASN . 12.5 m -61.79 -33.74 74.65 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.485 178.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . 0.564 ' CD1' HD12 ' A' ' 599' ' ' LEU . 2.2 t80 -67.02 -50.15 63.02 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -66.1 -44.65 83.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.725 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -56.98 -38.59 73.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.275 175.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 548' ' ' ASN . . . . . 0.578 ' HB2' ' O ' ' A' ' 544' ' ' SER . 20.8 t-20 -66.52 -50.1 64.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.946 -177.005 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 549' ' ' MET . . . . . 0.449 ' HG2' ' O ' ' A' ' 545' ' ' TYR . 22.4 mmt -63.62 -41.67 98.27 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.419 0.628 . . . . 0.0 110.037 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 550' ' ' LYS . . . . . 0.606 ' HG3' HD23 ' A' ' 571' ' ' LEU . 4.8 ttmm -61.06 -43.93 98.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.896 177.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 73.7 m -66.54 -36.94 83.92 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 177.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -67.17 -46.29 74.45 Favored 'General case' 0 C--O 1.225 -0.231 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -175.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 553' ' ' VAL . . . . . 0.841 HG11 HG11 ' A' ' 570' ' ' VAL . 34.8 m -74.58 -35.33 37.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.493 0.663 . . . . 0.0 110.833 -178.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 554' ' ' GLU . . . . . 0.591 ' HB2' ' O ' ' A' ' 550' ' ' LYS . 2.0 mm-40 -83.67 3.53 32.56 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.362 -179.645 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 555' ' ' ASP . . . . . 0.602 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 26.5 t70 -67.0 137.09 56.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.969 174.176 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -10.82 59.73 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -174.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -101.64 -42.41 2.32 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.272 -0.966 . . . . 0.0 111.063 174.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.913 HD23 ' HD3' ' A' ' 561' ' ' LYS . 10.6 mt -75.0 -12.41 60.32 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -67.79 -11.49 58.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.879 0.371 . . . . 0.0 110.422 175.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . -101.2 -3.84 53.94 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.885 175.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 561' ' ' LYS . . . . . 0.913 ' HD3' HD23 ' A' ' 558' ' ' LEU . 5.2 mptt -100.26 -32.25 10.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.983 0.42 . . . . 0.0 110.703 178.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . 0.829 ' HB ' HD21 ' A' ' 610' ' ' LEU . 5.2 tt -106.07 152.54 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.508 -178.649 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 7.3 m -81.87 157.52 24.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.566 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -54.21 -49.27 69.79 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 120.944 0.402 . . . . 0.0 111.042 -177.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -57.41 -43.29 83.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.071 -175.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 566' ' ' ASP . . . . . 0.629 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 21.6 m-20 -69.15 -48.24 62.87 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 121.213 0.53 . . . . 0.0 110.173 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.635 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 84.3 tttt -54.32 -48.1 71.75 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.905 176.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -66.65 -44.02 83.02 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.678 -178.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 569' ' ' LYS . . . . . 0.629 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 18.5 ptmt -65.32 -43.03 92.28 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 -174.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 570' ' ' VAL . . . . . 0.841 HG11 HG11 ' A' ' 553' ' ' VAL . 12.7 p -70.41 -40.61 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.832 -179.314 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . 0.606 HD23 ' HG3' ' A' ' 550' ' ' LYS . 33.0 mt -60.11 -49.09 79.03 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.809 0.338 . . . . 0.0 110.723 177.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -63.04 -44.7 95.17 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.935 -179.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 573' ' ' LYS . . . . . 0.6 ' HG2' HG11 ' A' ' 602' ' ' VAL . 50.0 tptt -62.48 -43.01 99.86 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.975 177.178 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 574' ' ' CYS . . . . . 0.427 ' SG ' HD21 ' A' ' 599' ' ' LEU . 61.9 m -58.39 -38.95 78.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.973 0.416 . . . . 0.0 110.831 175.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.01 -36.45 83.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.841 176.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -59.52 -56.51 21.09 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.871 0.367 . . . . 0.0 110.68 177.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 577' ' ' VAL . . . . . 0.671 HG21 HD12 ' A' ' 542' ' ' LEU . 0.7 OUTLIER -61.84 -45.73 98.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.093 -179.617 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 578' ' ' ILE . . . . . 0.973 ' HA ' HD12 ' A' ' 581' ' ' LEU . 27.6 mt -60.35 -41.24 86.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.693 0.282 . . . . 0.0 111.216 -178.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 47.4 t -65.35 -34.91 79.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.1 0.476 . . . . 0.0 110.554 176.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 86.5 t90 -74.15 -36.06 64.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.078 -178.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 581' ' ' LEU . . . . . 0.973 HD12 ' HA ' ' A' ' 578' ' ' ILE . 36.7 mt -59.26 -45.28 91.63 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.984 178.442 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -71.23 -25.8 62.65 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.793 179.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -87.13 -32.09 20.06 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.045 -176.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -123.54 48.4 1.86 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.08 0.467 . . . . 0.0 110.157 -179.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.76 -24.16 65.52 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.631 178.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -92.65 6.01 48.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.74 -175.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 587' ' ' ALA . . . . . 0.446 ' HB3' ' CE2' ' A' ' 592' ' ' PHE . . . -63.39 158.19 21.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.138 0.494 . . . . 0.0 110.364 176.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -84.33 171.51 12.61 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.654 176.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 589' ' ' LYS . . . . . 0.601 ' HG3' ' N ' ' A' ' 590' ' ' ASP . 28.5 pttt -56.8 -44.14 81.62 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.154 0.284 . . . . 0.0 111.238 -170.148 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 590' ' ' ASP . . . . . 0.601 ' N ' ' HG3' ' A' ' 589' ' ' LYS . 13.9 m-20 -63.73 -27.57 69.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.991 -0.549 . . . . 0.0 112.136 -173.192 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -65.57 -43.98 88.12 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 177.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 592' ' ' PHE . . . . . 0.561 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 83.7 m-85 -73.03 -37.56 66.85 Favored 'General case' 0 C--O 1.216 -0.675 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.187 176.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . 0.543 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 6.2 mm-40 -59.45 -38.16 80.04 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.976 0.417 . . . . 0.0 111.108 -178.299 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -72.25 -39.52 68.36 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.445 174.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 595' ' ' LYS . . . . . 0.618 ' HG2' HG23 ' A' ' 577' ' ' VAL . 0.4 OUTLIER -59.19 -36.8 76.01 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 121.128 0.49 . . . . 0.0 109.689 175.404 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 596' ' ' ARG . . . . . 0.687 ' HB2' HD21 ' A' ' 542' ' ' LEU . 18.4 ttp85 -61.07 -45.61 94.05 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.522 177.612 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . 0.555 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 45.5 mmtt -66.35 -39.52 89.23 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.38 177.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . 0.553 ' HB3' ' NZ ' ' A' ' 573' ' ' LYS . 32.0 mm-40 -59.64 -51.81 68.23 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.232 0.539 . . . . 0.0 110.903 177.374 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.712 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.3 tm? -66.29 -41.68 89.45 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.525 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . 0.503 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 30.8 tt0 -55.59 -48.65 74.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.444 178.139 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 601' ' ' GLN . . . . . 0.555 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 82.0 mt-30 -69.85 -22.43 63.27 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -177.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . 0.712 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.1 p -75.54 -41.45 41.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.327 174.419 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 603' ' ' CYS . . . . . 0.606 ' HB2' HD13 ' A' ' 607' ' ' ILE . 14.6 p -82.68 -27.17 31.45 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.653 -177.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 604' ' ' ASN . . . . . 0.62 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 43.8 t30 -50.46 -51.72 61.76 Favored Pre-proline 0 N--CA 1.47 0.568 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -175.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 605' ' ' PRO . . . . . 0.62 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 53.2 Cg_exo -60.29 -30.54 91.32 Favored 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 122.161 1.908 . . . . 0.0 112.032 179.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 606' ' ' ILE . . . . . 0.707 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -82.06 -40.51 17.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.907 -178.74 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 607' ' ' ILE . . . . . 0.606 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -66.76 -32.09 56.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.396 178.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 23.0 t -66.25 -17.8 64.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.237 177.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -107.67 2.89 34.18 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 121.139 -0.553 . . . . 0.0 112.137 177.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 610' ' ' LEU . . . . . 0.829 HD21 ' HB ' ' A' ' 562' ' ' ILE . 66.0 mt . . . . . 0 C--O 1.247 0.926 0 CA-C-O 119.023 -0.513 . . . . 0.0 110.226 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 538' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.16 0 CA-C-O 120.38 0.133 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -63.59 -40.11 96.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.133 0.492 . . . . 0.0 110.063 178.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -62.11 -46.76 87.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.394 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 541' ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' A' ' 545' ' ' TYR . . . -61.52 -40.08 93.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.611 176.044 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.482 ' HB3' HD21 ' A' ' 581' ' ' LEU . 0.2 OUTLIER -71.96 -48.38 45.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.92 -174.146 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 543' ' ' GLU . . . . . 0.493 ' CB ' HD13 ' A' ' 581' ' ' LEU . 9.7 tt0 -68.41 -38.98 81.76 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -175.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 22.9 m -66.95 -37.04 83.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.175 176.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . 0.433 ' HB2' ' O ' ' A' ' 541' ' ' ALA . 2.4 t80 -64.24 -49.32 72.38 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.358 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.58 -41.39 92.95 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.965 0.412 . . . . 0.0 110.285 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -58.25 -41.53 84.44 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.633 174.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 -61.09 -49.62 76.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.998 -178.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 549' ' ' MET . . . . . 0.519 ' HG3' ' CD1' ' A' ' 599' ' ' LEU . 19.2 mmt -65.83 -43.29 88.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.347 0.594 . . . . 0.0 110.228 -179.137 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 550' ' ' LYS . . . . . 0.626 ' HG3' HD23 ' A' ' 571' ' ' LEU . 4.1 ttmm -59.46 -46.03 89.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.023 176.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 10.4 t -65.97 -35.85 81.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.923 179.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -63.96 -46.14 86.01 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -177.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 553' ' ' VAL . . . . . 0.794 HG11 HG11 ' A' ' 570' ' ' VAL . 34.9 m -76.73 -35.16 24.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.333 0.587 . . . . 0.0 111.059 -178.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 554' ' ' GLU . . . . . 0.595 ' HA ' ' HE3' ' A' ' 567' ' ' LYS . 0.7 OUTLIER -86.4 4.38 39.71 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.366 179.473 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 555' ' ' ASP . . . . . 0.598 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 21.4 t70 -65.04 136.86 57.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.826 175.232 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 556' ' ' GLU . . . . . 0.612 ' HA ' ' HE3' ' A' ' 559' ' ' LYS . 10.3 pt-20 -69.96 -12.05 61.33 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -174.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -100.61 -36.18 4.12 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.488 -0.863 . . . . 0.0 111.304 177.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.679 ' HA ' ' HG3' ' A' ' 561' ' ' LYS . 25.3 mt -81.44 -12.17 59.0 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 179.398 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . 0.612 ' HE3' ' HA ' ' A' ' 556' ' ' GLU . 22.1 pttp -70.39 111.29 5.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.464 0.649 . . . . 0.0 109.25 173.198 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 116.02 -27.4 8.23 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 -171.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 561' ' ' LYS . . . . . 0.679 ' HG3' ' HA ' ' A' ' 558' ' ' LEU . 31.0 mmtm -75.14 -38.07 61.16 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 171.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . 0.696 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.7 tt -106.8 152.24 8.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 CA-C-N 114.82 -1.082 . . . . 0.0 109.666 177.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.15 154.64 24.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.626 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 564' ' ' GLU . . . . . 0.585 ' HB3' ' HE2' ' A' ' 568' ' ' LYS . 32.4 mt-10 -54.51 -46.06 73.42 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 120.434 0.159 . . . . 0.0 111.337 -173.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -57.63 -42.88 84.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.773 -175.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 566' ' ' ASP . . . . . 0.508 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 1.6 m-20 -67.88 -48.73 65.26 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.126 0.489 . . . . 0.0 109.746 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.666 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 84.1 tttt -54.81 -48.06 73.25 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.162 -0.927 . . . . 0.0 110.927 176.17 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . 0.585 ' HE2' ' HB3' ' A' ' 564' ' ' GLU . 63.5 mttm -59.75 -50.37 74.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 569' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 0.0 OUTLIER -64.36 -43.08 95.67 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.664 -172.022 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 570' ' ' VAL . . . . . 0.794 HG11 HG11 ' A' ' 553' ' ' VAL . 13.6 p -70.31 -43.11 78.74 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.016 -179.201 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . 0.626 HD23 ' HG3' ' A' ' 550' ' ' LYS . 41.7 mt -58.47 -48.58 80.3 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.086 0.469 . . . . 0.0 110.333 177.361 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 572' ' ' ASP . . . . . 0.412 ' O ' ' HG3' ' A' ' 576' ' ' GLU . 34.1 t70 -61.1 -47.06 88.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.574 -178.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 573' ' ' LYS . . . . . 0.566 ' O ' HG12 ' A' ' 577' ' ' VAL . 44.5 tptt -64.03 -40.23 95.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.093 177.247 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 574' ' ' CYS . . . . . 0.53 ' SG ' HD21 ' A' ' 599' ' ' LEU . 97.3 m -61.73 -38.87 89.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.926 0.393 . . . . 0.0 110.114 177.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.66 -37.02 85.34 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.739 176.047 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 576' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 572' ' ' ASP . 47.8 mt-10 -59.55 -55.58 32.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.963 0.411 . . . . 0.0 110.442 177.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 577' ' ' VAL . . . . . 0.566 HG12 ' O ' ' A' ' 573' ' ' LYS . 1.5 p -66.93 -40.5 85.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.647 -179.309 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 578' ' ' ILE . . . . . 0.91 ' HA ' HD12 ' A' ' 581' ' ' LEU . 19.0 mt -61.4 -38.3 79.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.866 0.365 . . . . 0.0 111.023 178.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 24.4 m -71.72 -27.01 62.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.134 0.492 . . . . 0.0 110.509 175.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 84.9 t90 -74.36 -37.62 63.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.561 177.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 581' ' ' LEU . . . . . 0.91 HD12 ' HA ' ' A' ' 578' ' ' ILE . 34.6 mt -61.15 -40.76 95.08 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.385 176.246 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -71.29 -24.19 62.1 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.809 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -95.8 -32.32 12.75 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.846 -175.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -114.39 47.96 1.17 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.207 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.71 -19.56 59.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.135 178.049 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -97.07 5.99 49.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.265 -177.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -66.09 162.03 20.46 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.999 0.428 . . . . 0.0 110.267 176.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -106.52 -177.33 3.33 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.271 177.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 589' ' ' LYS . . . . . 0.414 ' O ' ' HG3' ' A' ' 593' ' ' GLU . 0.0 OUTLIER -56.16 -48.27 76.62 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.329 0.862 . . . . 0.0 113.329 -165.573 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 590' ' ' ASP . . . . . 0.475 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 0.9 OUTLIER -68.63 -25.53 64.89 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 113.353 0.872 . . . . 0.0 113.353 -175.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -60.76 -45.9 92.53 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 173.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 592' ' ' PHE . . . . . 0.437 ' O ' HD21 ' A' ' 542' ' ' LEU . 92.9 m-85 -71.74 -45.71 60.86 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.517 179.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . 0.475 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 46.7 mt-10 -59.1 -40.0 83.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.751 0.31 . . . . 0.0 111.103 -176.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -69.21 -38.68 78.71 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.262 175.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 595' ' ' LYS . . . . . 0.435 ' HD3' ' HA ' ' A' ' 595' ' ' LYS . 12.6 tppt? -64.09 -35.41 80.67 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 120.899 0.38 . . . . 0.0 110.381 177.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 596' ' ' ARG . . . . . 0.66 ' O ' ' HG3' ' A' ' 600' ' ' GLU . 10.1 ttm180 -58.49 -47.64 83.43 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.273 177.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . 0.581 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 26.6 mmmt -55.98 -42.02 75.7 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.818 177.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 595' ' ' LYS . 12.8 mm-40 -59.61 -53.12 61.72 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 121.847 0.832 . . . . 0.0 111.009 178.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.64 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.4 tm? -59.05 -43.85 91.73 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.881 -1.054 . . . . 0.0 109.692 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . 0.66 ' HG3' ' O ' ' A' ' 596' ' ' ARG . 34.8 mt-10 -57.27 -38.14 73.46 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.353 179.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 601' ' ' GLN . . . . . 0.581 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 25.0 mt-30 -68.18 -31.83 71.65 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . 0.64 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.3 p -74.39 -38.9 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.858 178.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 603' ' ' CYS . . . . . 0.693 ' HB2' HD13 ' A' ' 607' ' ' ILE . 24.6 p -84.28 -25.93 28.97 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.375 -177.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 604' ' ' ASN . . . . . 0.623 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 23.1 t30 -49.1 -54.17 31.43 Favored Pre-proline 0 N--CA 1.474 0.727 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -176.463 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 605' ' ' PRO . . . . . 0.623 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 52.0 Cg_exo -59.17 -24.84 75.75 Favored 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 122.084 1.856 . . . . 0.0 112.45 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 606' ' ' ILE . . . . . 0.696 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -90.61 -40.76 12.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.437 -177.901 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 607' ' ' ILE . . . . . 0.693 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.2 mp -65.37 -26.94 40.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.951 -179.112 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 8.4 t -62.68 -15.92 54.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.743 178.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -120.83 11.08 10.19 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.602 178.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 610' ' ' LEU . . . . . 0.657 HD22 HD22 ' A' ' 558' ' ' LEU . 62.1 mt . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.522 -0.751 . . . . 0.0 110.61 -178.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 538' ' ' ALA . . . . . 0.545 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . . . . . . 0 CA--C 1.52 -0.189 0 CA-C-O 120.738 0.304 . . . . 0.0 110.731 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 539' ' ' LYS . . . . . 0.561 ' NZ ' ' HB3' ' A' ' 581' ' ' LEU . 2.4 tmtm? -65.46 -48.78 71.49 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -59.77 -47.27 86.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.434 178.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -59.31 -44.52 92.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.14 178.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 542' ' ' LEU . . . . . 0.7 HD21 ' HB2' ' A' ' 596' ' ' ARG . 0.2 OUTLIER -66.83 -46.9 73.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.482 -176.167 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 543' ' ' GLU . . . . . 0.965 ' HG3' HD13 ' A' ' 581' ' ' LEU . 4.2 tt0 -66.0 -45.44 81.54 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.691 -178.05 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 544' ' ' SER . . . . . 0.487 ' O ' ' HB2' ' A' ' 548' ' ' ASN . 9.4 t -61.81 -34.4 75.86 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 177.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . 0.48 ' O ' ' HG2' ' A' ' 549' ' ' MET . 3.5 t80 -67.62 -50.05 59.98 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 -179.319 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -66.36 -42.5 87.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.504 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -57.98 -40.06 79.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.553 175.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 548' ' ' ASN . . . . . 0.487 ' HB2' ' O ' ' A' ' 544' ' ' SER . 30.1 t-20 -65.64 -49.51 68.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.154 -176.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 549' ' ' MET . . . . . 0.48 ' HG2' ' O ' ' A' ' 545' ' ' TYR . 16.5 mmt -63.99 -43.53 95.43 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 121.553 0.692 . . . . 0.0 109.723 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 550' ' ' LYS . . . . . 0.619 ' HG3' HD23 ' A' ' 571' ' ' LEU . 3.4 ttmm -57.72 -46.81 83.9 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.72 -1.127 . . . . 0.0 111.306 176.001 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 69.0 m -65.93 -35.78 81.55 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.73 178.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -66.04 -46.1 79.03 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -177.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 553' ' ' VAL . . . . . 0.834 HG11 HG11 ' A' ' 570' ' ' VAL . 33.8 m -75.67 -31.09 22.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.468 0.651 . . . . 0.0 111.255 -178.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 554' ' ' GLU . . . . . 0.64 ' HA ' ' NZ ' ' A' ' 567' ' ' LYS . 0.1 OUTLIER -86.63 5.47 35.72 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.818 178.357 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 555' ' ' ASP . . . . . 0.435 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 31.9 t70 -76.48 129.26 36.25 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.479 174.564 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 556' ' ' GLU . . . . . 0.466 ' O ' ' HG2' ' A' ' 559' ' ' LYS . 62.5 mm-40 -71.31 -5.03 29.28 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -178.341 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 557' ' ' GLY . . . . . 0.451 ' O ' ' HE3' ' A' ' 561' ' ' LYS . . . -96.79 -30.41 7.58 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.165 -1.017 . . . . 0.0 110.789 174.583 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 558' ' ' LEU . . . . . 0.918 HD23 ' HD2' ' A' ' 561' ' ' LYS . 2.0 mt -86.95 0.55 54.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.238 -0.481 . . . . 0.0 111.431 179.137 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' ' 556' ' ' GLU . 20.9 ptmt -64.34 132.92 51.55 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 173.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 94.31 -33.5 5.24 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.491 -0.861 . . . . 0.0 111.559 -176.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 561' ' ' LYS . . . . . 0.918 ' HD2' HD23 ' A' ' 558' ' ' LEU . 81.5 mttt -67.73 -36.77 81.19 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 176.222 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 562' ' ' ILE . . . . . 0.646 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.5 tt -113.34 148.23 16.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.572 176.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.11 143.83 47.21 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 173.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -60.14 -30.85 69.57 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.327 -175.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.89 97.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.629 0.252 . . . . 0.0 111.129 176.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 566' ' ' ASP . . . . . 0.503 ' O ' HG12 ' A' ' 570' ' ' VAL . 3.4 m-20 -67.77 -43.66 79.3 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 177.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 567' ' ' LYS . . . . . 0.64 ' NZ ' ' HA ' ' A' ' 554' ' ' GLU . 27.8 tttp -54.05 -48.97 70.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.586 174.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -65.23 -46.23 81.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.711 -178.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 569' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 17.7 pttt -66.24 -42.6 88.37 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.62 -0.263 . . . . 0.0 110.591 -174.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 570' ' ' VAL . . . . . 0.834 HG11 HG11 ' A' ' 553' ' ' VAL . 14.0 p -70.01 -40.25 78.33 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.84 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 571' ' ' LEU . . . . . 0.619 HD23 ' HG3' ' A' ' 550' ' ' LYS . 31.9 mt -59.03 -48.14 82.66 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.957 0.408 . . . . 0.0 110.091 176.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -62.87 -46.14 89.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.621 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 573' ' ' LYS . . . . . 0.599 ' CG ' HG11 ' A' ' 602' ' ' VAL . 50.2 tptt -62.45 -41.07 98.48 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.862 177.143 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 574' ' ' CYS . . . . . 0.446 ' SG ' HD21 ' A' ' 599' ' ' LEU . 95.5 m -61.17 -38.21 85.65 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.365 175.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -65.12 -36.64 84.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.034 175.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 576' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' ' 573' ' ' LYS . 60.8 mt-10 -58.38 -56.13 26.04 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.287 0.565 . . . . 0.0 110.829 176.407 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 577' ' ' VAL . . . . . 0.611 HG21 HD12 ' A' ' 542' ' ' LEU . 1.3 p -66.12 -39.88 85.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.414 -178.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 578' ' ' ILE . . . . . 0.936 ' HA ' HD12 ' A' ' 581' ' ' LEU . 19.2 mt -64.23 -39.21 84.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 CA-C-O 120.696 0.284 . . . . 0.0 111.643 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 36.0 p -72.12 -32.84 67.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.944 0.402 . . . . 0.0 110.465 175.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 59.3 t90 -65.97 -40.88 91.63 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-O 121.583 0.706 . . . . 0.0 109.105 176.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 581' ' ' LEU . . . . . 0.965 HD13 ' HG3' ' A' ' 543' ' ' GLU . 15.8 mt -57.67 -44.29 85.63 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.34 178.123 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -69.33 -27.66 65.56 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.986 178.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -89.32 -32.35 17.38 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.949 -175.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -112.35 57.48 0.65 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.032 -178.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 4.1 p -68.77 -19.62 64.33 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.628 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -96.11 5.84 50.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.964 0.412 . . . . 0.0 110.818 -177.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 587' ' ' ALA . . . . . 0.432 ' HB1' ' HB2' ' A' ' 591' ' ' GLU . . . -65.62 153.17 42.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.737 177.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -95.51 175.5 6.54 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.385 176.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 589' ' ' LYS . . . . . 0.509 ' O ' ' HG3' ' A' ' 593' ' ' GLU . 19.2 pttp -55.56 -45.16 77.31 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -167.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 590' ' ' ASP . . . . . 0.602 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 8.5 p-10 -65.41 -26.38 67.96 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.532 0.568 . . . . 0.0 112.532 -175.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 591' ' ' GLU . . . . . 0.432 ' HB2' ' HB1' ' A' ' 587' ' ' ALA . 22.9 mm-40 -60.75 -43.93 97.33 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 172.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 592' ' ' PHE . . . . . 0.545 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 70.2 m-85 -70.53 -44.48 67.44 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.705 176.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 593' ' ' GLU . . . . . 0.602 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 44.1 mt-10 -60.11 -39.71 87.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.368 -176.361 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 594' ' ' HIS . . . . . 0.417 ' O ' ' HG3' ' A' ' 598' ' ' GLU . 18.2 m80 -70.45 -37.56 74.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.844 0.354 . . . . 0.0 110.464 175.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 595' ' ' LYS . . . . . 0.427 ' HA ' ' HE3' ' A' ' 595' ' ' LYS . 0.3 OUTLIER -65.15 -35.83 82.33 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.576 0.703 . . . . 0.0 109.414 177.504 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 596' ' ' ARG . . . . . 0.7 ' HB2' HD21 ' A' ' 542' ' ' LEU . 15.1 ttp85 -60.63 -40.45 91.97 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 114.675 -1.148 . . . . 0.0 109.526 178.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 597' ' ' LYS . . . . . 0.526 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 48.6 mmtm -58.57 -46.69 86.37 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.278 175.513 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 598' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 594' ' ' HIS . 58.8 mt-10 -60.44 -57.25 13.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.541 -178.195 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 599' ' ' LEU . . . . . 0.673 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.5 tm? -58.54 -41.69 86.13 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.835 -178.146 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 600' ' ' GLU . . . . . 0.578 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 25.1 tt0 -59.57 -38.63 81.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.008 179.195 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 601' ' ' GLN . . . . . 0.526 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 84.2 mt-30 -69.58 -28.82 66.29 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 178.179 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 602' ' ' VAL . . . . . 0.673 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.4 p -75.0 -39.35 44.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.508 178.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 603' ' ' CYS . . . . . 0.674 ' HB2' HD13 ' A' ' 607' ' ' ILE . 21.4 p -83.96 -28.17 27.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.949 -177.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 604' ' ' ASN . . . . . 0.624 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 23.1 t30 -50.5 -54.35 36.12 Favored Pre-proline 0 N--CA 1.472 0.652 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -176.513 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 605' ' ' PRO . . . . . 0.624 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 45.4 Cg_exo -61.38 -20.34 67.94 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 122.326 2.017 . . . . 0.0 112.834 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 606' ' ' ILE . . . . . 0.675 ' O ' HD13 ' A' ' 610' ' ' LEU . 0.0 OUTLIER -91.72 -41.0 12.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.23 -178.899 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 607' ' ' ILE . . . . . 0.674 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.1 mp -63.86 -17.69 20.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 C-N-CA 123.653 0.781 . . . . 0.0 112.079 -174.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 5.2 p -67.52 -1.4 4.92 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -178.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -131.66 16.41 5.09 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 110.424 -1.07 . . . . 0.0 110.424 176.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 610' ' ' LEU . . . . . 0.776 ' HG ' HD22 ' A' ' 558' ' ' LEU . 10.6 mp . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.33 -0.843 . . . . 0.0 110.309 -174.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 N--CA 1.475 0.815 0 CA-C-O 121.073 0.464 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.428 ' O ' ' HB2' ' A' ' 542' ' ' LEU . . . -65.96 -25.17 66.99 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.49 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . 0.568 ' HE3' HG22 ' A' ' 585' ' ' THR . 13.7 tmtt? -64.17 -48.51 75.67 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 176.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -63.29 -41.22 98.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.11 178.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -62.12 -44.9 95.63 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.055 0.455 . . . . 0.0 110.7 177.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.768 HD12 HG21 ' A' ' 577' ' ' VAL . 0.3 OUTLIER -64.87 -47.31 78.34 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.688 -177.018 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . 0.562 ' CB ' HD13 ' A' ' 581' ' ' LEU . 8.5 tt0 -67.06 -42.14 85.27 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.53 -176.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 39.7 m -63.46 -42.01 98.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.229 177.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . 0.451 ' OH ' ' HG2' ' A' ' 600' ' ' GLU . 1.5 t80 -61.54 -49.13 77.95 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 178.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -64.53 -41.99 96.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.305 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -58.08 -43.48 87.06 Favored 'General case' 0 C--O 1.226 -0.154 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.63 175.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -61.23 -49.62 76.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.936 -178.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 549' ' ' MET . . . . . . . . . . . . . 21.8 mmt -64.57 -42.63 95.53 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.405 0.621 . . . . 0.0 110.291 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . 0.591 ' O ' ' HB2' ' A' ' 554' ' ' GLU . 4.4 ttmm -59.51 -45.98 90.17 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.809 177.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 66.3 m -65.52 -35.41 80.78 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.435 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -67.42 -46.8 72.12 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -177.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 553' ' ' VAL . . . . . 0.853 HG11 HG11 ' A' ' 570' ' ' VAL . 35.0 m -74.92 -34.35 32.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.186 0.517 . . . . 0.0 111.108 -179.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 554' ' ' GLU . . . . . 0.614 ' HG2' HD11 ' A' ' 571' ' ' LEU . 0.9 OUTLIER -86.37 1.19 52.1 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.776 179.521 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 555' ' ' ASP . . . . . 0.496 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 14.7 t70 -63.07 141.93 58.58 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 173.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -69.22 -13.71 62.56 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -173.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -103.2 -42.89 1.97 Allowed Glycine 0 N--CA 1.441 -0.991 0 C-N-CA 119.494 -1.336 . . . . 0.0 111.471 176.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.928 HD23 ' HD2' ' A' ' 561' ' ' LYS . 17.3 mt -70.4 -14.73 62.68 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.56 0.219 . . . . 0.0 111.256 177.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 560' ' ' GLY . 0.1 OUTLIER -61.76 -19.0 61.99 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.343 178.664 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 560' ' ' GLY . . . . . 0.456 ' N ' ' HD3' ' A' ' 559' ' ' LYS . . . -109.46 0.85 30.88 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.743 177.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . 0.928 ' HD2' HD23 ' A' ' 558' ' ' LEU . 82.5 mttt -96.36 -28.6 14.4 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.2 0.524 . . . . 0.0 110.203 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . 0.691 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.9 tt -105.98 156.78 6.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.407 177.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . 0.453 ' N ' HG12 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -79.47 148.97 31.68 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 178.909 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -54.55 -44.73 73.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.818 0.342 . . . . 0.0 111.086 -173.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -59.49 -43.25 93.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.067 -177.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 566' ' ' ASP . . . . . 0.478 ' O ' HG12 ' A' ' 570' ' ' VAL . 17.1 m-20 -67.07 -45.74 76.42 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.285 0.564 . . . . 0.0 109.876 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.458 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 52.0 tttm -54.34 -47.66 72.31 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.892 -1.049 . . . . 0.0 110.873 174.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -63.88 -49.36 73.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.887 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 569' ' ' LYS . . . . . 0.472 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 18.7 ptmt -64.85 -42.09 95.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.688 -172.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 570' ' ' VAL . . . . . 0.853 HG11 HG11 ' A' ' 553' ' ' VAL . 13.2 p -70.2 -40.55 78.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.685 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . 0.614 HD11 ' HG2' ' A' ' 554' ' ' GLU . 44.5 mt -60.37 -47.74 84.75 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.745 0.307 . . . . 0.0 110.592 177.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -62.38 -43.92 97.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.379 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 573' ' ' LYS . . . . . 0.601 ' CG ' HG11 ' A' ' 602' ' ' VAL . 49.1 tptt -64.68 -41.79 95.79 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.772 177.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 574' ' ' CYS . . . . . 0.495 ' SG ' HD21 ' A' ' 599' ' ' LEU . 67.1 m -62.18 -39.26 92.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.481 176.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.68 -36.16 81.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.479 175.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 576' ' ' GLU . . . . . 0.453 ' HB3' ' O ' ' A' ' 573' ' ' LYS . 1.5 tt0 -58.36 -56.36 23.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.163 177.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 577' ' ' VAL . . . . . 0.768 HG21 HD12 ' A' ' 542' ' ' LEU . 1.4 p -66.56 -42.78 90.53 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.532 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.445 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 578' ' ' ILE . . . . . 0.904 ' HA ' HD12 ' A' ' 581' ' ' LEU . 24.3 mt -61.83 -41.74 91.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 111.706 0.262 . . . . 0.0 111.706 -178.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 20.9 t -72.02 -25.93 62.01 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.206 0.527 . . . . 0.0 110.273 177.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 580' ' ' TRP . . . . . 0.705 ' CZ2' ' HG3' ' A' ' 591' ' ' GLU . 57.8 t90 -77.44 -39.35 47.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.083 176.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 581' ' ' LEU . . . . . 0.904 HD12 ' HA ' ' A' ' 578' ' ' ILE . 38.9 mt -56.52 -45.32 81.17 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-O 121.417 0.627 . . . . 0.0 110.232 176.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -65.47 -22.2 66.72 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.754 -1.112 . . . . 0.0 110.714 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -97.78 -32.43 11.73 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.181 -175.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -123.36 55.06 1.24 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.124 0.488 . . . . 0.0 110.708 -175.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 585' ' ' THR . . . . . 0.568 HG22 ' HE3' ' A' ' 539' ' ' LYS . 7.3 p -67.11 -21.55 65.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.635 0.731 . . . . 0.0 110.435 174.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . 0.484 HD22 ' N ' ' A' ' 586' ' ' LEU . 2.2 mm? -90.91 5.4 48.77 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.521 -175.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . 0.426 ' HB3' ' CE2' ' A' ' 592' ' ' PHE . . . -62.43 157.31 20.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.436 177.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -75.48 166.26 23.85 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 176.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -56.35 -44.61 80.23 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.093 -177.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 590' ' ' ASP . . . . . 0.527 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 12.0 m-20 -62.89 -26.99 69.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.93 -176.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . 0.705 ' HG3' ' CZ2' ' A' ' 580' ' ' TRP . 17.5 tp10 -65.93 -43.81 86.98 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 592' ' ' PHE . . . . . 0.46 ' O ' HD21 ' A' ' 542' ' ' LEU . 89.3 m-85 -71.24 -40.15 71.22 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.85 176.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . 0.527 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 55.2 mm-40 -58.19 -42.05 85.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.973 0.416 . . . . 0.0 110.393 -179.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -71.4 -37.19 71.55 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.411 176.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . . . . . . . . . 7.5 tppt? -62.96 -36.81 84.69 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.141 0.496 . . . . 0.0 110.02 178.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 596' ' ' ARG . . . . . 0.662 ' HB2' HD21 ' A' ' 542' ' ' LEU . 17.7 ttp180 -60.16 -48.88 79.86 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.088 176.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . 0.601 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 32.6 mmtp -55.78 -43.36 76.69 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.663 177.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . 0.436 ' HB3' ' NZ ' ' A' ' 573' ' ' LYS . 45.0 mt-10 -60.02 -53.61 55.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.877 177.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.676 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.0 tm? -60.25 -42.88 96.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.708 -178.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . 0.559 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 48.2 mt-10 -57.51 -44.8 85.33 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.917 177.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 601' ' ' GLN . . . . . 0.601 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 49.5 mt-30 -65.95 -28.44 68.91 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . 0.676 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.4 p -76.24 -40.68 36.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 120.309 -0.556 . . . . 0.0 110.811 178.024 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 603' ' ' CYS . . . . . 0.65 ' HB2' HD13 ' A' ' 607' ' ' ILE . 15.3 p -83.3 -27.28 29.91 Favored 'General case' 0 C--O 1.219 -0.5 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.584 -177.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 604' ' ' ASN . . . . . 0.612 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 23.3 t30 -50.39 -52.99 49.76 Favored Pre-proline 0 N--CA 1.471 0.622 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -177.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 605' ' ' PRO . . . . . 0.612 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 51.7 Cg_exo -60.48 -21.61 68.78 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 122.179 1.919 . . . . 0.0 112.453 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 606' ' ' ILE . . . . . 0.691 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -91.98 -41.32 12.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.36 -179.798 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 607' ' ' ILE . . . . . 0.65 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -68.31 -29.51 44.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 C-N-CA 123.279 0.632 . . . . 0.0 111.233 -178.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 4.1 p -67.49 -11.79 58.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.96 0.409 . . . . 0.0 111.595 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -116.94 17.32 13.03 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.402 176.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 610' ' ' LEU . . . . . . . . . . . . . 93.4 mt . . . . . 0 C--O 1.251 1.167 0 CA-C-O 118.712 -0.661 . . . . 0.0 110.514 -178.35 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 5.7 p . . . . . 0 N--CA 1.479 0.976 0 CA-C-O 121.028 0.442 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.565 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . -71.9 -36.33 69.99 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.702 -175.087 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . 0.684 ' HG2' HD22 ' A' ' 581' ' ' LEU . 9.3 tmtt? -66.43 -42.43 87.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.086 0.47 . . . . 0.0 109.979 178.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -62.62 -41.27 98.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.135 177.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -63.83 -47.52 80.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.585 175.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.725 ' HB3' HD21 ' A' ' 581' ' ' LEU . 0.3 OUTLIER -63.24 -47.87 80.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.826 -0.624 . . . . 0.0 112.234 -175.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . 0.535 ' CB ' HD13 ' A' ' 581' ' ' LEU . 9.8 tt0 -68.21 -38.9 82.42 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-N 116.341 -0.39 . . . . 0.0 109.997 -176.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 15.3 t -66.31 -41.09 90.21 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.818 176.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . 0.495 ' CD1' HD12 ' A' ' 599' ' ' LEU . 2.2 t80 -61.83 -48.89 78.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.985 178.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.05 -43.62 91.68 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.321 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -57.55 -41.49 81.09 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.527 175.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 38.5 m-20 -61.57 -50.18 73.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.019 -178.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 549' ' ' MET . . . . . . . . . . . . . 22.8 mmt -65.91 -42.29 90.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.634 0.731 . . . . 0.0 110.249 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . 0.617 ' HG3' HD23 ' A' ' 571' ' ' LEU . 2.0 ttmm -59.62 -45.28 92.42 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.643 -1.162 . . . . 0.0 111.067 176.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 11.0 t -66.64 -37.02 83.96 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.926 178.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -62.76 -45.41 92.84 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -176.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 553' ' ' VAL . . . . . 0.714 HG11 HG11 ' A' ' 570' ' ' VAL . 35.9 m -76.25 -34.89 26.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.468 0.651 . . . . 0.0 111.206 -178.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 554' ' ' GLU . . . . . 0.557 ' HG2' HD11 ' A' ' 571' ' ' LEU . 0.3 OUTLIER -89.21 4.88 47.18 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.212 -0.904 . . . . 0.0 112.313 179.831 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 555' ' ' ASP . . . . . 0.591 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 31.9 t70 -65.71 138.34 57.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.354 0.597 . . . . 0.0 111.533 -179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 556' ' ' GLU . . . . . 0.405 ' C ' ' HG3' ' A' ' 559' ' ' LYS . 7.8 pt-20 -72.14 -8.86 57.06 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.017 -0.992 . . . . 0.0 113.111 -178.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . 0.554 ' O ' ' HE3' ' A' ' 561' ' ' LYS . . . -102.24 -36.44 3.61 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.547 -0.835 . . . . 0.0 111.101 175.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.912 HD23 ' HD2' ' A' ' 561' ' ' LYS . 1.7 mt -80.58 4.04 19.84 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.183 -0.508 . . . . 0.0 112.06 178.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . 0.405 ' HG3' ' C ' ' A' ' 556' ' ' GLU . 0.0 OUTLIER -57.79 129.19 40.76 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.308 0.575 . . . . 0.0 110.889 176.848 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 87.14 -14.35 57.59 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.729 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . 0.912 ' HD2' HD23 ' A' ' 558' ' ' LEU . 82.1 mttt -78.18 -27.77 48.02 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.22 0.534 . . . . 0.0 110.174 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . 0.737 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.4 tt -117.1 153.25 18.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 174.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 21.3 t -81.35 156.39 25.5 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . 0.639 ' HB3' ' HE2' ' A' ' 568' ' ' LYS . 14.6 mm-40 -55.63 -46.29 77.45 Favored 'General case' 0 C--O 1.221 -0.409 0 O-C-N 123.023 0.202 . . . . 0.0 110.804 -174.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -57.7 -43.5 85.19 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -175.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 566' ' ' ASP . . . . . 0.494 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 6.5 m-20 -68.25 -46.69 69.78 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 179.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.509 ' HE3' ' HG2' ' A' ' 554' ' ' GLU . 75.2 tttt -54.78 -48.41 72.71 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.816 175.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . 0.639 ' HE2' ' HB3' ' A' ' 564' ' ' GLU . 65.3 mttm -63.26 -46.77 85.3 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.623 -179.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 569' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 0.0 OUTLIER -64.05 -42.56 96.99 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.32 -174.348 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 570' ' ' VAL . . . . . 0.714 HG11 HG11 ' A' ' 553' ' ' VAL . 12.5 p -70.6 -42.26 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.737 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . 0.617 HD23 ' HG3' ' A' ' 550' ' ' LYS . 28.4 mt -59.72 -45.92 90.69 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.606 0.241 . . . . 0.0 110.693 178.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -62.15 -47.35 84.95 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.45 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 573' ' ' LYS . . . . . 0.607 ' O ' HG12 ' A' ' 577' ' ' VAL . 49.6 tptt -64.95 -39.94 94.25 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.012 179.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 574' ' ' CYS . . . . . 0.51 ' SG ' HD21 ' A' ' 599' ' ' LEU . 68.2 m -62.42 -41.31 98.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.968 0.413 . . . . 0.0 110.114 177.058 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -41.98 97.78 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.411 174.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -59.76 -52.6 64.79 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.074 -178.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 577' ' ' VAL . . . . . 0.687 HG21 HD12 ' A' ' 542' ' ' LEU . 1.5 p -66.83 -39.7 84.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.354 177.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 578' ' ' ILE . . . . . 1.013 ' HA ' HD12 ' A' ' 581' ' ' LEU . 14.4 mt -60.71 -41.46 88.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.864 0.364 . . . . 0.0 110.963 179.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 35.4 m -68.39 -32.02 71.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.821 0.343 . . . . 0.0 110.494 174.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 83.1 t90 -69.49 -37.66 77.32 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.697 178.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 581' ' ' LEU . . . . . 1.013 HD12 ' HA ' ' A' ' 578' ' ' ILE . 33.7 mt -59.58 -43.89 93.5 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.298 -0.865 . . . . 0.0 110.459 177.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -67.61 -33.82 75.75 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.322 178.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -82.33 -32.49 29.36 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.461 -0.79 . . . . 0.0 112.356 -175.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . 0.413 HD22 ' N ' ' A' ' 584' ' ' ASN . 0.9 OUTLIER -114.89 49.42 1.05 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.102 0.477 . . . . 0.0 110.22 -179.898 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.34 -21.43 65.29 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.341 0.591 . . . . 0.0 111.059 179.429 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -96.62 5.9 49.79 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.044 -174.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . 0.428 ' HB1' ' HB2' ' A' ' 591' ' ' GLU . . . -67.55 157.06 35.25 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.107 0.48 . . . . 0.0 111.218 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -85.03 170.15 13.26 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.739 173.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 590' ' ' ASP . 18.6 pttp -57.12 -45.12 83.75 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -172.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 590' ' ' ASP . . . . . 0.568 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 2.9 m-20 -58.11 -31.54 67.24 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -177.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . 0.428 ' HB2' ' HB1' ' A' ' 587' ' ' ALA . 30.3 mm-40 -62.14 -47.93 82.36 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 177.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 592' ' ' PHE . . . . . 0.565 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 75.8 m-85 -66.96 -40.13 87.42 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 115.157 -0.928 . . . . 0.0 109.888 176.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . 0.568 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 33.2 mt-10 -59.0 -38.73 79.87 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.32 -177.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . 0.41 ' O ' ' HG3' ' A' ' 598' ' ' GLU . 39.4 m80 -69.37 -41.71 76.15 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.751 0.31 . . . . 0.0 110.409 175.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . 0.448 ' HG2' HG23 ' A' ' 577' ' ' VAL . 13.4 tppt? -60.31 -36.34 77.68 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.526 176.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 596' ' ' ARG . . . . . 0.678 ' HB2' HD21 ' A' ' 542' ' ' LEU . 30.5 ttp180 -60.34 -41.77 94.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.722 178.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . 0.68 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 31.0 mmtp -61.27 -45.2 95.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.184 175.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 594' ' ' HIS . 29.8 mt-10 -60.04 -54.53 44.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.495 0.664 . . . . 0.0 111.147 -178.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.666 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.6 tm? -58.49 -42.15 86.93 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.228 -0.897 . . . . 0.0 109.568 178.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . 0.526 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 35.6 tt0 -56.45 -43.08 79.17 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.811 177.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 601' ' ' GLN . . . . . 0.68 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 24.1 mt-30 -67.47 -29.54 69.01 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 -178.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . 0.666 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.6 p -75.74 -39.77 39.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 C-N-CA 120.277 -0.569 . . . . 0.0 110.748 179.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 603' ' ' CYS . . . . . 0.586 ' HA ' HD13 ' A' ' 606' ' ' ILE . 9.5 p -83.41 -27.75 29.36 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.779 -178.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 604' ' ' ASN . . . . . 0.638 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 33.4 t30 -49.97 -54.43 32.82 Favored Pre-proline 0 CA--C 1.537 0.477 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -175.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 605' ' ' PRO . . . . . 0.638 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 52.7 Cg_exo -60.24 -26.84 83.6 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 122.107 1.871 . . . . 0.0 112.461 -179.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 606' ' ' ILE . . . . . 0.737 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -83.68 -40.64 16.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.692 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 607' ' ' ILE . . . . . 0.585 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.4 mp -65.0 -30.58 50.79 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.595 178.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 45.7 m -59.69 -23.22 62.95 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.598 177.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -110.27 7.52 30.65 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.241 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 610' ' ' LEU . . . . . 0.657 HD21 ' HB ' ' A' ' 562' ' ' ILE . 73.8 mt . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.583 -0.722 . . . . 0.0 110.453 -178.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 56.9 m . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 120.669 0.271 . . . . 0.0 111.503 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.639 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . -65.92 -26.42 67.59 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.651 -0.25 . . . . 0.0 110.886 179.222 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . 0.477 ' NZ ' ' HB3' ' A' ' 581' ' ' LEU . 2.3 tmtm? -60.88 -48.8 80.15 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.08 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -62.83 -47.22 84.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.797 -177.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -60.17 -43.04 96.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.781 178.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.785 HD12 HD21 ' A' ' 581' ' ' LEU . 2.5 tm? -66.14 -47.82 72.81 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.289 -176.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . 0.984 ' HG3' HD13 ' A' ' 581' ' ' LEU . 7.2 tt0 -65.17 -47.83 75.63 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 120.865 0.364 . . . . 0.0 110.34 -177.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 16.3 m -59.68 -32.7 70.73 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.381 178.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . 0.476 ' CD1' HD12 ' A' ' 599' ' ' LEU . 3.2 t80 -66.13 -49.33 67.85 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 178.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.98 -41.11 91.55 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.201 0.524 . . . . 0.0 110.159 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -57.33 -43.99 83.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.624 173.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 50.8 m-20 -59.66 -49.83 76.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.702 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 549' ' ' MET . . . . . 0.416 ' HG3' ' CD1' ' A' ' 599' ' ' LEU . 22.0 mmt -66.68 -43.47 84.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.22 0.533 . . . . 0.0 110.612 -178.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . 0.665 ' HG3' HD23 ' A' ' 571' ' ' LEU . 6.7 ttmm -58.6 -47.72 83.37 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.91 176.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 14.1 t -66.16 -36.12 82.27 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.151 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -63.84 -45.94 87.27 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -177.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 553' ' ' VAL . . . . . 0.847 HG11 HG11 ' A' ' 570' ' ' VAL . 34.5 m -76.71 -34.85 24.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.312 0.577 . . . . 0.0 111.212 -178.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 554' ' ' GLU . . . . . 0.62 ' HG2' HD11 ' A' ' 571' ' ' LEU . 1.1 mm-40 -86.95 3.62 45.0 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.381 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 555' ' ' ASP . . . . . 0.638 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 24.2 t70 -64.03 142.08 58.54 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.148 179.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 556' ' ' GLU . . . . . 0.931 ' HA ' ' HE3' ' A' ' 559' ' ' LYS . 35.8 mt-10 -69.4 -18.43 63.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.265 -176.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -97.66 -33.12 5.97 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.386 -0.911 . . . . 0.0 111.02 178.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.711 ' HA ' ' HG3' ' A' ' 561' ' ' LYS . 32.3 mt -86.15 -6.36 59.01 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . 0.931 ' HE3' ' HA ' ' A' ' 556' ' ' GLU . 19.6 ptpt -67.07 109.5 3.04 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 174.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 111.71 -22.65 18.97 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.504 -173.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . 0.711 ' HG3' ' HA ' ' A' ' 558' ' ' LEU . 50.6 mmtt -76.72 -36.55 57.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.398 0.618 . . . . 0.0 109.496 176.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . 0.784 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.5 tt -105.68 156.68 6.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.57 178.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . 0.459 ' N ' HG12 ' A' ' 562' ' ' ILE . 21.2 m -78.24 149.1 33.67 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.179 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . 0.438 ' H ' ' HG3' ' A' ' 564' ' ' GLU . 0.0 OUTLIER -53.57 -45.25 69.87 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.05 0.389 . . . . 0.0 112.05 -175.572 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -63.49 -40.95 98.45 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.221 -178.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 566' ' ' ASP . . . . . 0.588 ' HB3' ' HB ' ' A' ' 606' ' ' ILE . 13.8 m-20 -66.21 -45.01 82.25 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 177.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.506 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 71.2 tttt -54.68 -47.98 72.96 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.606 174.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -64.69 -49.15 72.07 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.08 -178.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 569' ' ' LYS . . . . . 0.561 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 12.5 ptmt -59.2 -45.18 91.74 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-O 120.797 0.332 . . . . 0.0 110.567 -174.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 570' ' ' VAL . . . . . 0.847 HG11 HG11 ' A' ' 553' ' ' VAL . 12.6 p -69.93 -42.78 79.79 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.901 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.839 -178.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . 0.665 HD23 ' HG3' ' A' ' 550' ' ' LYS . 37.6 mt -59.86 -46.73 88.38 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.848 0.356 . . . . 0.0 110.481 178.132 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 572' ' ' ASP . . . . . 0.57 ' O ' ' HG3' ' A' ' 576' ' ' GLU . 33.9 t70 -61.47 -48.66 80.09 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.373 -178.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 573' ' ' LYS . . . . . 0.658 ' O ' HG12 ' A' ' 577' ' ' VAL . 46.1 tptt -63.07 -41.37 99.41 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.728 178.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 574' ' ' CYS . . . . . 0.526 ' SG ' HD21 ' A' ' 599' ' ' LEU . 92.3 m -62.98 -38.91 93.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.94 0.4 . . . . 0.0 110.699 178.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . 0.443 ' HG2' ' HE3' ' A' ' 550' ' ' LYS . 2.1 mm-40 -66.35 -41.72 89.13 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.873 176.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 576' ' ' GLU . . . . . 0.57 ' HG3' ' O ' ' A' ' 572' ' ' ASP . 61.2 mt-10 -59.75 -50.64 73.02 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 123.448 0.468 . . . . 0.0 110.695 178.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 577' ' ' VAL . . . . . 0.658 HG12 ' O ' ' A' ' 573' ' ' LYS . 2.4 p -66.59 -37.86 80.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.427 179.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 578' ' ' ILE . . . . . 0.898 ' HA ' HD12 ' A' ' 581' ' ' LEU . 13.3 mt -65.47 -39.58 85.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 122.249 -0.282 . . . . 0.0 111.272 178.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 24.7 p -71.6 -26.46 62.6 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 121.185 0.517 . . . . 0.0 110.446 174.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 580' ' ' TRP . . . . . 0.539 ' CE2' ' HE2' ' A' ' 595' ' ' LYS . 63.9 t90 -68.42 -40.83 81.09 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 175.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 581' ' ' LEU . . . . . 0.984 HD13 ' HG3' ' A' ' 543' ' ' GLU . 15.3 mt -60.59 -49.28 78.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.817 -1.083 . . . . 0.0 112.013 179.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -61.0 -21.51 63.64 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.493 0.663 . . . . 0.0 110.485 178.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -94.66 -3.77 48.84 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.902 -177.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . 0.83 ' ND2' ' HA ' ' A' ' 581' ' ' LEU . 0.1 OUTLIER -144.58 51.06 1.27 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.672 0.748 . . . . 0.0 111.549 -176.222 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 15.3 p -62.97 -15.25 55.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.812 -0.555 . . . . 0.0 111.652 -177.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -113.74 7.41 17.15 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.393 -178.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . 0.551 ' HB2' ' HB2' ' A' ' 584' ' ' ASN . . . -49.69 153.39 1.23 Allowed 'General case' 0 C--O 1.236 0.346 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -177.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -58.21 144.78 39.61 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 172.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . 0.404 ' H ' ' HG2' ' A' ' 589' ' ' LYS . 28.5 pttt -61.77 -36.0 79.77 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.006 -175.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 590' ' ' ASP . . . . . 0.405 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 2.8 m-20 -62.97 -24.94 68.13 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.468 176.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . 0.55 ' HA ' ' OE1' ' A' ' 591' ' ' GLU . 0.5 OUTLIER -65.16 -44.45 88.49 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 120.319 -0.552 . . . . 0.0 110.456 177.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 592' ' ' PHE . . . . . 0.639 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 65.9 m-85 -66.47 -32.5 73.91 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.555 177.199 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . 0.546 ' O ' ' HG2' ' A' ' 597' ' ' LYS . 50.1 mm-40 -66.28 -48.92 68.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.893 176.17 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . 0.446 ' O ' ' HG3' ' A' ' 598' ' ' GLU . 24.6 m170 -63.54 -47.62 80.86 Favored 'General case' 0 CA--C 1.511 -0.538 0 CA-C-O 121.134 0.492 . . . . 0.0 109.824 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . 0.539 ' HE2' ' CE2' ' A' ' 580' ' ' TRP . 0.2 OUTLIER -61.29 -34.43 75.2 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.198 -177.579 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 596' ' ' ARG . . . . . 0.497 ' HB2' ' O ' ' A' ' 592' ' ' PHE . 10.5 ttm180 -62.43 -39.97 95.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.688 177.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . 0.586 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 22.0 mmtp -66.5 -40.82 89.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.769 177.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 594' ' ' HIS . 51.0 mt-10 -60.36 -55.16 37.0 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.889 0.852 . . . . 0.0 110.843 177.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.667 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.5 tm? -58.26 -41.62 84.69 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.573 -1.194 . . . . 0.0 109.384 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . 0.619 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 27.3 tt0 -58.2 -41.17 83.39 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.083 178.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 601' ' ' GLN . . . . . 0.586 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 85.9 mt-30 -69.31 -27.56 65.49 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -179.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . 0.667 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.3 p -75.06 -39.02 43.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 C-N-CA 120.164 -0.614 . . . . 0.0 110.353 177.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 603' ' ' CYS . . . . . 0.657 ' HB2' HD13 ' A' ' 607' ' ' ILE . 25.0 p -82.57 -25.97 32.81 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.3 -178.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 604' ' ' ASN . . . . . 0.629 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 49.7 t30 -50.27 -54.47 33.81 Favored Pre-proline 0 CA--C 1.539 0.536 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -174.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 605' ' ' PRO . . . . . 0.629 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 45.9 Cg_exo -61.23 -21.71 72.51 Favored 'Trans proline' 0 C--N 1.359 1.121 0 C-N-CA 122.043 1.829 . . . . 0.0 112.361 -178.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 606' ' ' ILE . . . . . 0.784 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -90.0 -39.68 12.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.103 -178.561 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 607' ' ' ILE . . . . . 0.657 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.2 mp -64.59 -24.55 35.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.283 -178.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 16.6 m -55.67 -28.47 55.68 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.796 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -118.14 23.24 9.33 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.514 -0.85 . . . . 0.0 112.741 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 610' ' ' LEU . . . . . 0.697 HD21 ' HB ' ' A' ' 562' ' ' ILE . 50.0 mt . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.515 -0.755 . . . . 0.0 110.458 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 28.2 m . . . . . 0 N--CA 1.478 0.926 0 CA-C-O 120.769 0.318 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.667 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . -60.25 -42.39 95.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.906 -175.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . 0.592 ' HE2' ' HB3' ' A' ' 581' ' ' LEU . 13.3 tmtt? -61.06 -46.93 88.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.116 0.484 . . . . 0.0 110.154 178.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -63.72 -45.47 89.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.635 -179.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -63.16 -42.51 99.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.83 179.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.749 HD12 HG21 ' A' ' 577' ' ' VAL . 0.5 OUTLIER -61.92 -47.23 85.85 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.456 -178.478 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . 0.497 ' HG3' HD13 ' A' ' 581' ' ' LEU . 3.3 tt0 -63.22 -49.17 75.24 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.189 -179.339 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 42.9 m -62.74 -33.1 74.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.042 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . 0.568 ' CD1' HD12 ' A' ' 599' ' ' LEU . 3.0 t80 -67.77 -49.76 60.76 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 178.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -66.1 -43.27 87.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.603 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -57.29 -41.12 79.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.572 175.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -63.69 -49.48 72.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.572 -178.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 549' ' ' MET . . . . . 0.457 ' HG2' ' O ' ' A' ' 545' ' ' TYR . 18.3 mmt -65.49 -43.66 89.53 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.343 0.592 . . . . 0.0 110.211 -178.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . 0.595 ' HG3' HD23 ' A' ' 571' ' ' LEU . 3.5 ttmm -57.88 -47.62 82.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.167 177.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 21.7 t -66.37 -37.33 85.05 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.9 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -63.27 -45.91 89.3 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -177.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 553' ' ' VAL . . . . . 0.839 HG11 HG11 ' A' ' 570' ' ' VAL . 34.4 m -76.69 -35.19 24.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.307 0.575 . . . . 0.0 111.308 -178.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 554' ' ' GLU . . . . . 0.61 ' HA ' ' HE3' ' A' ' 567' ' ' LYS . 0.2 OUTLIER -85.63 3.32 41.39 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.844 -179.723 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 555' ' ' ASP . . . . . 0.643 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 17.0 t70 -69.74 133.43 47.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.018 176.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 556' ' ' GLU . . . . . 0.908 ' HA ' ' HE3' ' A' ' 559' ' ' LYS . 40.9 mt-10 -70.51 -9.5 56.8 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.493 -175.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -100.52 -32.72 5.35 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.558 -0.829 . . . . 0.0 111.188 176.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 1.018 HD23 ' HD2' ' A' ' 561' ' ' LYS . 4.1 mt -83.23 -15.27 51.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.497 -0.351 . . . . 0.0 111.664 179.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . 0.908 ' HE3' ' HA ' ' A' ' 556' ' ' GLU . 19.4 ptpt -61.06 128.32 35.85 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 172.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 103.29 -31.36 8.81 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.406 -0.902 . . . . 0.0 111.334 -173.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . 1.018 ' HD2' HD23 ' A' ' 558' ' ' LEU . 84.3 mttt -74.49 -36.09 63.26 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 173.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . 0.84 ' HB ' HD21 ' A' ' 610' ' ' LEU . 5.6 tt -107.76 153.68 9.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.226 175.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 20.0 m -82.36 149.92 27.45 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 176.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -54.53 -43.74 72.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.516 0.198 . . . . 0.0 111.202 -175.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -57.62 -43.31 84.68 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.588 -178.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 566' ' ' ASP . . . . . 0.545 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 14.1 m-20 -67.4 -46.13 74.15 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.128 0.489 . . . . 0.0 109.846 178.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.626 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 77.0 tttt -54.84 -48.01 73.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.852 175.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -65.18 -44.8 87.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.762 -178.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 569' ' ' LYS . . . . . 0.545 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 4.8 ptmt -65.72 -43.18 89.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.361 -175.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 570' ' ' VAL . . . . . 0.839 HG11 HG11 ' A' ' 553' ' ' VAL . 12.1 p -69.85 -39.88 78.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 C-N-CA 120.994 -0.282 . . . . 0.0 111.131 -179.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . 0.595 HD23 ' HG3' ' A' ' 550' ' ' LYS . 32.7 mt -61.24 -47.31 86.66 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.832 0.348 . . . . 0.0 110.661 178.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -63.07 -42.84 99.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.929 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 573' ' ' LYS . . . . . 0.597 ' CG ' HG11 ' A' ' 602' ' ' VAL . 50.7 tptt -66.07 -42.43 89.42 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.955 177.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 574' ' ' CYS . . . . . 0.483 ' SG ' HD21 ' A' ' 599' ' ' LEU . 94.9 m -61.14 -38.83 87.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.161 0.505 . . . . 0.0 110.376 176.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.49 -36.36 82.55 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.808 176.232 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.39 -56.89 16.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.339 177.129 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 577' ' ' VAL . . . . . 0.749 HG21 HD12 ' A' ' 542' ' ' LEU . 1.4 p -65.27 -41.18 90.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.5 -178.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 578' ' ' ILE . . . . . 0.989 ' HA ' HD12 ' A' ' 581' ' ' LEU . 17.5 mt -61.13 -44.1 97.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.65 0.262 . . . . 0.0 111.357 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 20.3 m -68.7 -31.3 70.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.066 0.46 . . . . 0.0 110.131 176.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 580' ' ' TRP . . . . . 0.623 ' CZ2' ' HG3' ' A' ' 591' ' ' GLU . 67.8 t90 -72.18 -36.49 69.27 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.96 179.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 581' ' ' LEU . . . . . 0.989 HD12 ' HA ' ' A' ' 578' ' ' ILE . 35.9 mt -58.5 -44.16 89.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.718 0.77 . . . . 0.0 110.339 176.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -71.61 -21.33 61.86 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.829 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -96.45 -32.95 12.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 112.124 -176.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . 0.488 ' HB3' ' HB2' ' A' ' 587' ' ' ALA . 3.1 m-20 -118.68 47.47 1.63 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.326 0.584 . . . . 0.0 109.528 178.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 585' ' ' THR . . . . . 0.562 HG23 ' HE3' ' A' ' 539' ' ' LYS . 0.2 OUTLIER -61.74 -20.67 63.78 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.204 179.015 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . 0.429 HD22 ' N ' ' A' ' 586' ' ' LEU . 2.4 mm? -98.7 6.8 46.73 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.786 -177.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . 0.488 ' HB2' ' HB3' ' A' ' 584' ' ' ASN . . . -56.9 158.57 4.72 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.997 177.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -76.33 160.75 29.32 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.767 177.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.29 -44.24 83.89 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.921 0.391 . . . . 0.0 111.344 -175.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 590' ' ' ASP . . . . . 0.437 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 5.9 p-10 -64.78 -24.98 67.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.791 179.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . 0.623 ' HG3' ' CZ2' ' A' ' 580' ' ' TRP . 5.8 tp10 -62.79 -49.33 75.37 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 176.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 592' ' ' PHE . . . . . 0.667 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 94.5 m-85 -63.99 -40.82 97.22 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.088 177.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . 0.551 ' O ' ' HG2' ' A' ' 597' ' ' LYS . 5.9 mm-40 -59.65 -38.5 81.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.4 -178.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -65.88 -38.36 88.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.876 0.37 . . . . 0.0 110.308 174.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . 0.444 ' HD3' ' HA ' ' A' ' 595' ' ' LYS . 5.7 tppt? -66.6 -36.43 82.59 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.119 178.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 596' ' ' ARG . . . . . 0.7 ' HB2' HD21 ' A' ' 542' ' ' LEU . 41.1 ttp85 -60.49 -37.32 80.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.596 177.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . 0.593 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 28.7 mmtp -69.51 -43.65 72.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.356 176.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -59.73 -53.11 61.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.213 0.53 . . . . 0.0 111.325 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.721 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.2 tm? -59.94 -42.34 93.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.374 -179.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . 0.577 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 38.4 tt0 -57.47 -45.91 84.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.082 176.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 601' ' ' GLN . . . . . 0.593 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 77.7 mt-30 -63.7 -29.39 70.62 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . 0.721 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.4 p -76.33 -39.6 34.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.521 178.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 603' ' ' CYS . . . . . 0.647 ' HB2' HD13 ' A' ' 607' ' ' ILE . 25.4 p -83.31 -26.73 30.34 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.657 -177.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 604' ' ' ASN . . . . . 0.587 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 18.7 t30 -49.68 -53.52 40.76 Favored Pre-proline 0 CA--C 1.541 0.61 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 -176.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 605' ' ' PRO . . . . . 0.587 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 53.1 Cg_exo -59.49 -24.7 75.97 Favored 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 122.085 1.856 . . . . 0.0 112.035 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 606' ' ' ILE . . . . . 0.714 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -89.74 -40.62 13.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.119 -177.753 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 607' ' ' ILE . . . . . 0.647 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -67.19 -29.83 47.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.483 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 50.1 m -62.94 -23.48 67.41 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.858 176.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -101.81 -9.19 43.72 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.911 -0.661 . . . . 0.0 111.984 177.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 610' ' ' LEU . . . . . 0.84 HD21 ' HB ' ' A' ' 562' ' ' ILE . 78.9 mt . . . . . 0 C--O 1.246 0.871 0 CA-C-O 118.477 -0.773 . . . . 0.0 110.216 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 4.3 p . . . . . 0 N--CA 1.476 0.847 0 CA-C-O 121.078 0.466 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.435 ' O ' ' HB2' ' A' ' 542' ' ' LEU . . . -70.84 -27.97 64.24 Favored 'General case' 0 C--O 1.226 -0.144 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.006 -178.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -66.18 -45.44 80.85 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 177.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -64.47 -46.72 81.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.17 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -58.0 -48.79 78.95 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.994 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.766 HD21 ' HB2' ' A' ' 596' ' ' ARG . 0.5 OUTLIER -61.28 -47.56 85.44 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.641 -177.698 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . 0.502 ' CB ' HD13 ' A' ' 581' ' ' LEU . 8.9 tt0 -68.33 -45.93 71.58 Favored 'General case' 0 N--CA 1.439 -1.017 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.475 -176.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 18.9 t -65.54 -36.96 85.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.122 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . 0.526 ' CD1' HD12 ' A' ' 599' ' ' LEU . 1.4 t80 -61.76 -49.45 76.35 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 176.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.74 -40.42 92.12 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.639 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -59.11 -44.39 91.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.206 173.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 61.8 m-20 -61.7 -47.32 85.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.886 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 549' ' ' MET . . . . . . . . . . . . . 28.1 mmt -64.77 -43.77 92.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.373 0.606 . . . . 0.0 110.403 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . 0.787 ' HG3' HD23 ' A' ' 571' ' ' LEU . 4.7 ttmm -59.64 -45.53 91.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.935 -1.03 . . . . 0.0 110.844 176.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 58.0 m -66.81 -34.98 79.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.684 177.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -65.74 -45.82 81.19 Favored 'General case' 0 C--O 1.224 -0.289 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -176.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 553' ' ' VAL . . . . . 0.776 HG11 HG11 ' A' ' 570' ' ' VAL . 26.4 m -75.03 -34.61 32.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.618 0.723 . . . . 0.0 111.186 -179.15 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 554' ' ' GLU . . . . . 0.507 ' HB2' ' O ' ' A' ' 550' ' ' LYS . 1.6 mm-40 -86.54 3.53 43.82 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.363 178.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 555' ' ' ASP . . . . . 0.449 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 28.8 t70 -68.53 141.87 55.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.772 178.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -69.77 -12.93 62.01 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -176.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . 0.531 ' O ' ' HE3' ' A' ' 561' ' ' LYS . . . -100.91 -28.23 7.04 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.505 -0.855 . . . . 0.0 111.686 178.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.97 HD23 ' HD2' ' A' ' 561' ' ' LYS . 10.4 mt -98.27 -6.09 31.77 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 111.609 0.226 . . . . 0.0 111.609 -179.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -56.92 -37.53 71.6 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -177.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . -93.81 -6.61 62.0 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.034 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . 0.97 ' HD2' HD23 ' A' ' 558' ' ' LEU . 85.1 mttt -81.92 -34.6 29.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.108 0.48 . . . . 0.0 110.529 -178.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . 0.859 ' HB ' HD21 ' A' ' 610' ' ' LEU . 5.5 tt -106.92 153.57 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.604 -177.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . 0.46 ' HB3' ' OD2' ' A' ' 566' ' ' ASP . 32.9 t -82.17 155.13 25.13 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.169 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . 0.436 ' HB3' ' HE3' ' A' ' 568' ' ' LYS . 29.9 mt-10 -54.88 -48.16 73.33 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.611 0.243 . . . . 0.0 111.065 -175.121 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -57.74 -42.54 84.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.246 -176.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 566' ' ' ASP . . . . . 0.498 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 21.5 m-20 -67.22 -49.73 63.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.33 0.586 . . . . 0.0 109.78 179.193 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.614 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 81.2 tttt -53.93 -47.78 70.87 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.758 -1.11 . . . . 0.0 111.228 176.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . 0.436 ' HE3' ' HB3' ' A' ' 564' ' ' GLU . 94.9 mttt -63.46 -47.18 82.89 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.577 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 569' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 0.0 OUTLIER -64.28 -41.76 96.74 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.3 -173.475 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 570' ' ' VAL . . . . . 0.776 HG11 HG11 ' A' ' 553' ' ' VAL . 12.6 p -70.95 -42.15 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.307 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . 0.787 HD23 ' HG3' ' A' ' 550' ' ' LYS . 20.0 mt -59.01 -49.43 77.91 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.266 0.555 . . . . 0.0 110.228 177.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -61.31 -45.1 95.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.329 -178.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 573' ' ' LYS . . . . . 0.589 ' CG ' HG11 ' A' ' 602' ' ' VAL . 47.5 tptt -64.75 -42.23 95.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.851 177.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 574' ' ' CYS . . . . . 0.423 ' SG ' HD21 ' A' ' 599' ' ' LEU . 99.2 m -59.86 -38.53 82.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.567 177.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -66.78 -38.74 87.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.116 177.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -59.32 -53.89 53.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.792 0.33 . . . . 0.0 110.917 178.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 577' ' ' VAL . . . . . 0.632 HG21 HD12 ' A' ' 542' ' ' LEU . 1.5 p -64.05 -40.66 89.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.996 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 578' ' ' ILE . . . . . 0.936 ' HA ' HD12 ' A' ' 581' ' ' LEU . 19.7 mt -62.74 -43.92 99.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-O 120.772 0.32 . . . . 0.0 111.692 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 15.8 t -69.56 -25.1 63.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.157 0.503 . . . . 0.0 110.204 176.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 85.3 t90 -75.05 -37.05 61.8 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.817 -0.628 . . . . 0.0 109.668 176.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 581' ' ' LEU . . . . . 0.936 HD12 ' HA ' ' A' ' 578' ' ' ILE . 37.4 mt -61.18 -42.19 98.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.366 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -63.91 -33.97 76.91 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.349 0.595 . . . . 0.0 109.885 175.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -81.07 -33.7 33.23 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.263 -0.881 . . . . 0.0 112.452 -173.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . 0.707 ' ND2' ' HA ' ' A' ' 581' ' ' LEU . 0.1 OUTLIER -98.28 43.65 1.06 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.435 0.636 . . . . 0.0 111.177 -176.343 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.67 -12.1 14.72 Favored 'General case' 0 C--N 1.315 -0.898 0 O-C-N 122.011 -0.43 . . . . 0.0 111.976 -174.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -109.6 5.65 23.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.368 -179.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . 0.421 ' HB2' ' HB2' ' A' ' 584' ' ' ASN . . . -66.61 155.96 36.42 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.369 0.604 . . . . 0.0 110.967 179.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -99.47 176.17 5.59 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.985 175.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 15.9 ptpt -55.51 -45.18 77.11 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -169.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 590' ' ' ASP . . . . . 0.662 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 10.1 p-10 -66.39 -24.96 66.57 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -175.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -63.93 -48.98 74.42 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.215 0.531 . . . . 0.0 109.727 172.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 592' ' ' PHE . . . . . 0.453 ' O ' HD21 ' A' ' 542' ' ' LEU . 88.2 m-85 -64.23 -41.84 96.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.748 176.348 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . 0.662 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 38.2 mm-40 -59.38 -42.79 92.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.294 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -59.53 -43.43 93.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.046 0.451 . . . . 0.0 110.283 174.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . 0.73 ' HE2' ' OE1' ' A' ' 598' ' ' GLU . 0.1 OUTLIER -68.76 -36.56 78.5 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.241 -176.437 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 596' ' ' ARG . . . . . 0.766 ' HB2' HD21 ' A' ' 542' ' ' LEU . 49.8 ttp85 -57.25 -44.82 84.21 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.33 177.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . 0.66 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 22.6 mmmt -60.19 -43.42 95.92 Favored 'General case' 0 CA--C 1.523 -0.089 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.906 178.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . 0.73 ' OE1' ' HE2' ' A' ' 595' ' ' LYS . 51.8 mt-10 -59.31 -55.62 32.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.867 179.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.679 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.0 tm? -59.26 -42.51 91.31 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.788 -1.096 . . . . 0.0 109.714 -177.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . 0.578 ' HG3' ' O ' ' A' ' 596' ' ' ARG . 44.2 mt-10 -56.14 -45.27 79.65 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 116.775 -0.193 . . . . 0.0 110.509 175.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 601' ' ' GLN . . . . . 0.66 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 50.2 mt-30 -65.8 -29.48 69.97 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -177.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . 0.679 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.7 p -76.01 -39.14 36.55 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.574 178.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 603' ' ' CYS . . . . . 0.69 ' HB2' HD13 ' A' ' 607' ' ' ILE . 22.1 p -82.53 -26.51 32.41 Favored 'General case' 0 C--O 1.219 -0.515 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.454 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 604' ' ' ASN . . . . . 0.609 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 26.7 t30 -50.11 -54.06 37.27 Favored Pre-proline 0 CA--C 1.541 0.62 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -176.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 605' ' ' PRO . . . . . 0.609 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 44.2 Cg_exo -60.75 -22.31 72.89 Favored 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 122.301 2.001 . . . . 0.0 112.365 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 606' ' ' ILE . . . . . 0.786 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -91.19 -40.35 12.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.14 -178.688 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 607' ' ' ILE . . . . . 0.69 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.2 mp -65.65 -30.01 48.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.178 -178.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 6.7 p -66.67 -16.89 64.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.815 0.34 . . . . 0.0 111.025 177.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -113.53 11.14 23.7 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.21 178.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 610' ' ' LEU . . . . . 0.859 HD21 ' HB ' ' A' ' 562' ' ' ILE . 48.1 mt . . . . . 0 C--O 1.251 1.151 0 CA-C-O 118.621 -0.704 . . . . 0.0 110.605 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 27.5 m . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 120.67 0.272 . . . . 0.0 110.622 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.537 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . -60.73 -38.77 86.25 Favored 'General case' 0 C--O 1.222 -0.393 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.117 -179.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . 0.536 ' NZ ' ' HB3' ' A' ' 581' ' ' LEU . 3.7 tmtm? -56.5 -47.54 79.06 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -65.61 -47.55 75.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.261 -177.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 541' ' ' ALA . . . . . 0.478 ' O ' ' HB2' ' A' ' 545' ' ' TYR . . . -64.57 -40.7 96.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.986 0.422 . . . . 0.0 110.587 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.914 HD12 HD21 ' A' ' 581' ' ' LEU . 2.8 tm? -65.37 -48.16 73.89 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.398 -177.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . 0.809 ' HG3' HD13 ' A' ' 581' ' ' LEU . 21.5 tt0 -68.86 -47.86 64.88 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 120.577 0.227 . . . . 0.0 110.795 -176.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 544' ' ' SER . . . . . 0.498 ' O ' ' HB2' ' A' ' 548' ' ' ASN . 21.5 m -62.73 -29.39 70.64 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.284 178.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . 0.499 ' CD1' HD12 ' A' ' 599' ' ' LEU . 2.4 t80 -61.76 -49.7 75.36 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -66.09 -43.06 88.39 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.363 178.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . 0.462 ' HB2' ' HA ' ' A' ' 544' ' ' SER . 3.9 m-85 -56.64 -39.09 73.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.81 175.185 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 548' ' ' ASN . . . . . 0.498 ' HB2' ' O ' ' A' ' 544' ' ' SER . 2.5 t-20 -67.41 -49.05 65.47 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.094 -175.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 549' ' ' MET . . . . . 0.412 ' HE3' ' HB3' ' A' ' 548' ' ' ASN . 22.1 mmt -65.51 -42.84 91.63 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.431 0.634 . . . . 0.0 109.974 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . 0.56 ' HG3' HD23 ' A' ' 571' ' ' LEU . 2.3 ttmm -58.35 -46.54 86.06 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.816 -1.084 . . . . 0.0 111.062 176.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 20.0 t -65.83 -36.18 82.75 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.031 178.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -64.17 -45.94 86.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.733 -177.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 553' ' ' VAL . . . . . 0.749 HG11 HG11 ' A' ' 570' ' ' VAL . 34.1 m -76.88 -35.27 23.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.147 0.499 . . . . 0.0 111.449 -178.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 554' ' ' GLU . . . . . 0.62 ' HG2' HD11 ' A' ' 571' ' ' LEU . 0.9 OUTLIER -85.64 3.98 38.45 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.647 -0.706 . . . . 0.0 112.05 179.626 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 555' ' ' ASP . . . . . 0.6 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 13.0 t70 -64.67 136.05 56.56 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 172.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 556' ' ' GLU . . . . . 0.677 ' HA ' ' HE3' ' A' ' 559' ' ' LYS . 1.8 pm0 -69.57 -12.0 61.29 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -172.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -101.49 -35.26 4.16 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 119.977 -1.106 . . . . 0.0 111.04 177.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.801 ' HA ' ' HG3' ' A' ' 561' ' ' LYS . 29.3 mt -78.37 -17.19 56.83 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.534 -0.333 . . . . 0.0 111.479 179.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . 0.677 ' HE3' ' HA ' ' A' ' 556' ' ' GLU . 22.2 pttp -71.92 98.62 2.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.875 0.845 . . . . 0.0 109.533 173.295 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 127.93 -29.59 4.13 Favored Glycine 0 N--CA 1.449 -0.489 0 N-CA-C 110.075 -1.21 . . . . 0.0 110.075 -170.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . 0.801 ' HG3' ' HA ' ' A' ' 558' ' ' LEU . 28.5 mmtm -73.99 -37.32 64.47 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 171.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . 0.776 ' HB ' HD21 ' A' ' 610' ' ' LEU . 5.5 tt -105.64 152.15 7.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 114.414 -1.267 . . . . 0.0 109.342 177.256 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . 0.417 ' HB3' ' OD1' ' A' ' 566' ' ' ASP . 32.8 t -71.25 147.63 48.02 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 177.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -58.67 -35.63 72.88 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 121.051 -0.26 . . . . 0.0 111.249 -177.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -60.59 -43.33 97.5 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.564 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 566' ' ' ASP . . . . . 0.627 ' HB3' ' HB ' ' A' ' 606' ' ' ILE . 7.9 m-20 -70.0 -44.98 68.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.08 0.466 . . . . 0.0 109.958 179.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.608 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 52.7 tttm -54.67 -47.87 73.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.958 174.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -65.6 -49.13 69.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.862 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 569' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 18.5 ptmt -61.62 -43.3 99.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.395 -174.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 570' ' ' VAL . . . . . 0.749 HG11 HG11 ' A' ' 553' ' ' VAL . 11.6 p -70.73 -40.34 76.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.886 -179.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . 0.62 HD11 ' HG2' ' A' ' 554' ' ' GLU . 35.5 mt -60.68 -47.36 86.59 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.744 0.306 . . . . 0.0 110.431 177.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -59.57 -47.26 86.26 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.414 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 573' ' ' LYS . . . . . 0.662 ' O ' HG12 ' A' ' 577' ' ' VAL . 49.6 tptt -64.62 -41.61 96.07 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.83 178.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 574' ' ' CYS . . . . . 0.533 ' SG ' HD21 ' A' ' 599' ' ' LEU . 97.5 m -61.34 -38.41 86.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.905 0.383 . . . . 0.0 110.452 177.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -66.8 -36.88 83.42 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.037 175.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 576' ' ' GLU . . . . . 0.406 ' HB3' ' O ' ' A' ' 573' ' ' LYS . 0.1 OUTLIER -58.54 -55.28 37.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.954 0.406 . . . . 0.0 110.254 176.305 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 577' ' ' VAL . . . . . 0.662 HG12 ' O ' ' A' ' 573' ' ' LYS . 1.3 p -66.21 -41.85 89.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.741 -178.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 578' ' ' ILE . . . . . 0.914 ' HA ' HD12 ' A' ' 581' ' ' LEU . 21.0 mt -63.2 -40.19 88.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 111.525 0.194 . . . . 0.0 111.525 -179.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 56.3 m -70.38 -30.81 67.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.833 0.349 . . . . 0.0 110.557 175.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 51.3 t90 -68.7 -37.81 79.82 Favored 'General case' 0 C--O 1.222 -0.385 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 581' ' ' LEU . . . . . 0.914 HD12 ' HA ' ' A' ' 578' ' ' ILE . 16.1 mt -59.53 -48.04 83.2 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.225 176.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -64.87 -34.22 77.86 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.455 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -82.03 -31.42 30.98 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.598 -178.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . 0.501 ' HB3' ' HB2' ' A' ' 587' ' ' ALA . 5.2 m-20 -119.62 52.97 1.07 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.363 -176.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 1.3 p -67.28 -19.83 65.55 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.656 0.741 . . . . 0.0 110.773 173.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -90.13 5.18 47.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.752 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . 0.501 ' HB2' ' HB3' ' A' ' 584' ' ' ASN . . . -67.16 151.48 47.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.333 177.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -86.62 171.29 11.11 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.018 177.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 52.7 pttt -54.8 -45.08 74.32 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -171.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 590' ' ' ASP . . . . . 0.446 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 3.2 m-20 -61.34 -29.4 69.87 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.329 -177.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . 0.544 ' HA ' ' OE1' ' A' ' 591' ' ' GLU . 2.9 mm-40 -64.4 -44.46 91.21 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 120.584 -0.447 . . . . 0.0 110.596 178.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 592' ' ' PHE . . . . . 0.537 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 78.9 m-85 -65.17 -38.94 92.15 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.399 176.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . 0.499 ' O ' ' HG2' ' A' ' 597' ' ' LYS . 21.0 mm-40 -60.44 -44.22 96.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.251 177.576 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -62.88 -48.1 80.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.042 0.449 . . . . 0.0 110.284 178.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . 0.442 ' HG2' HG23 ' A' ' 577' ' ' VAL . 12.0 tppt? -63.06 -34.53 77.79 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.428 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 596' ' ' ARG . . . . . 0.525 ' HB2' HD23 ' A' ' 542' ' ' LEU . 41.2 ttp85 -61.78 -36.85 82.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.313 178.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . 0.503 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 65.6 mmtt -64.87 -43.35 93.26 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.301 0.572 . . . . 0.0 109.647 175.189 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.36 -56.86 16.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.368 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.714 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.5 tm? -58.94 -42.5 89.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.52 -177.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . 0.544 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 29.1 tt0 -57.58 -44.96 85.74 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.989 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 601' ' ' GLN . . . . . 0.503 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 48.9 mt-30 -68.73 -25.58 64.82 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . 0.714 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.5 p -75.58 -39.64 40.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.366 177.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 603' ' ' CYS . . . . . 0.614 ' HB2' HD13 ' A' ' 607' ' ' ILE . 15.1 p -82.2 -26.53 33.25 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.304 -178.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 604' ' ' ASN . . . . . 0.526 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 6.7 t30 -50.05 -52.47 52.72 Favored Pre-proline 0 N--CA 1.473 0.675 0 N-CA-C 113.215 0.821 . . . . 0.0 113.215 -175.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 605' ' ' PRO . . . . . 0.526 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 52.0 Cg_exo -59.9 -31.42 93.73 Favored 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 122.018 1.812 . . . . 0.0 112.447 178.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 606' ' ' ILE . . . . . 0.774 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -81.35 -40.23 17.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.184 -177.668 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 607' ' ' ILE . . . . . 0.614 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -66.11 -28.76 44.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.077 177.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 47.9 t -63.39 -23.25 67.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.386 175.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -103.34 -1.09 47.42 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.117 178.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 610' ' ' LEU . . . . . 0.776 HD21 ' HB ' ' A' ' 562' ' ' ILE . 72.2 mt . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.453 -0.784 . . . . 0.0 110.554 -178.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 10.6 t . . . . . 0 N--CA 1.477 0.912 0 CA-C-O 120.953 0.406 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.503 ' O ' ' HB2' ' A' ' 542' ' ' LEU . . . -63.87 -17.1 62.84 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.491 -175.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . 0.718 ' HE3' HG22 ' A' ' 585' ' ' THR . 14.1 tmtt? -62.61 -39.66 94.46 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -68.23 -47.01 68.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.647 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -63.16 -42.53 99.44 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.72 178.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 538' ' ' ALA . 0.3 OUTLIER -67.12 -47.3 71.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.179 -175.068 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . 0.563 ' CB ' HD13 ' A' ' 581' ' ' LEU . 12.9 tt0 -66.83 -40.99 88.18 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.112 -177.279 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 54.9 m -67.06 -31.46 71.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.561 176.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -67.59 -49.46 63.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.005 0.431 . . . . 0.0 109.879 177.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.22 -40.29 93.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.136 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -59.62 -39.04 82.96 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.691 174.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -64.98 -49.11 71.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.691 -178.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 549' ' ' MET . . . . . . . . . . . . . 21.9 mmt -63.36 -43.19 98.39 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-O 121.301 0.572 . . . . 0.0 109.85 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . 0.604 ' HG3' HD23 ' A' ' 571' ' ' LEU . 4.4 ttmm -59.79 -47.62 84.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.037 176.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 13.0 t -66.15 -36.61 83.58 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -63.5 -45.97 88.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.55 -177.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 553' ' ' VAL . . . . . 0.782 HG11 HG11 ' A' ' 570' ' ' VAL . 35.5 m -76.56 -34.62 24.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.181 0.515 . . . . 0.0 111.326 -178.033 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 554' ' ' GLU . . . . . 0.504 ' HB2' ' O ' ' A' ' 550' ' ' LYS . 0.0 OUTLIER -85.24 3.9 37.26 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.178 179.62 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 555' ' ' ASP . . . . . 0.472 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 20.4 t70 -70.03 142.77 52.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.643 176.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -69.42 -17.75 63.68 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -174.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -98.02 -38.55 4.06 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 119.642 -1.266 . . . . 0.0 111.11 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.986 HD23 ' HD2' ' A' ' 561' ' ' LYS . 16.3 mt -79.03 -12.64 60.03 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.482 -0.359 . . . . 0.0 111.772 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -65.77 -19.71 65.99 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.012 0.434 . . . . 0.0 111.049 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . -101.1 3.42 55.29 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 120.676 -0.774 . . . . 0.0 111.6 176.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . 0.986 ' HD2' HD23 ' A' ' 558' ' ' LEU . 79.5 mttt -104.48 -32.49 8.97 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.987 0.422 . . . . 0.0 110.838 -178.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . 0.784 ' HB ' HD21 ' A' ' 610' ' ' LEU . 5.9 tt -106.91 153.27 8.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.508 -179.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . 0.409 ' N ' HG12 ' A' ' 562' ' ' ILE . 0.3 OUTLIER -75.53 153.86 37.21 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.769 179.36 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -55.46 -46.38 76.8 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 123.31 0.382 . . . . 0.0 110.194 -178.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -59.84 -43.3 94.66 Favored 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 -177.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 566' ' ' ASP . . . . . 0.646 ' HB3' ' HB ' ' A' ' 606' ' ' ILE . 16.8 m-20 -67.61 -47.41 69.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.282 0.563 . . . . 0.0 109.776 -178.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.602 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 44.4 tttt -54.89 -47.32 74.44 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.373 174.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 30.7 tttp -58.63 -51.01 71.74 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.264 -0.88 . . . . 0.0 112.018 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 569' ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 0.0 OUTLIER -65.38 -43.92 89.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.801 -172.69 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 570' ' ' VAL . . . . . 0.782 HG11 HG11 ' A' ' 553' ' ' VAL . 12.8 p -70.3 -40.17 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.206 -176.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . 0.604 HD23 ' HG3' ' A' ' 550' ' ' LYS . 39.8 mt -60.18 -48.31 82.28 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.806 0.336 . . . . 0.0 110.408 178.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 572' ' ' ASP . . . . . 0.477 ' O ' ' HG3' ' A' ' 576' ' ' GLU . 11.4 t70 -61.76 -47.25 86.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.202 -178.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 573' ' ' LYS . . . . . 0.68 ' HG2' HG11 ' A' ' 602' ' ' VAL . 39.4 tptt -62.05 -41.82 98.54 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.551 177.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 574' ' ' CYS . . . . . 0.413 ' SG ' HD21 ' A' ' 599' ' ' LEU . 83.6 m -62.35 -38.06 88.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.293 0.568 . . . . 0.0 109.721 178.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . 0.448 ' HG2' ' HE3' ' A' ' 550' ' ' LYS . 7.4 mm-40 -63.64 -40.66 97.44 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.494 175.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 576' ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' A' ' 572' ' ' ASP . 49.0 mt-10 -58.02 -55.62 32.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.15 0.5 . . . . 0.0 110.262 178.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 577' ' ' VAL . . . . . 0.536 HG12 ' O ' ' A' ' 573' ' ' LYS . 1.9 p -67.12 -39.67 83.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.861 -179.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 578' ' ' ILE . . . . . 0.921 ' HA ' HD12 ' A' ' 581' ' ' LEU . 12.5 mt -61.88 -42.03 93.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 111.76 0.281 . . . . 0.0 111.76 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 24.6 p -69.75 -29.74 67.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.918 0.39 . . . . 0.0 110.174 177.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 59.2 t90 -70.74 -38.79 73.55 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.663 176.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 581' ' ' LEU . . . . . 0.921 HD12 ' HA ' ' A' ' 578' ' ' ILE . 47.1 mt -57.73 -46.59 84.24 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.936 178.29 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -68.4 -23.22 64.63 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.559 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -90.82 -30.67 16.85 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.433 -176.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . 0.455 ' HB3' ' HB2' ' A' ' 587' ' ' ALA . 42.4 m-80 -123.2 58.18 1.12 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.252 0.548 . . . . 0.0 111.021 -178.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 585' ' ' THR . . . . . 0.718 HG22 ' HE3' ' A' ' 539' ' ' LYS . 70.5 p -70.03 -17.95 63.28 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.577 0.703 . . . . 0.0 109.64 174.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . 0.447 HD22 ' N ' ' A' ' 586' ' ' LEU . 1.3 mm? -93.5 5.4 51.71 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 114.834 -1.076 . . . . 0.0 110.372 -176.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . 0.455 ' HB2' ' HB3' ' A' ' 584' ' ' ASN . . . -66.54 151.97 46.2 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.207 177.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -78.63 165.16 23.98 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 176.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . 0.406 ' HE3' ' HB2' ' A' ' 589' ' ' LYS . 17.4 ptmt -55.33 -42.7 74.14 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -173.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 590' ' ' ASP . . . . . 0.447 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 4.7 p-10 -60.43 -28.33 68.19 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -176.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 595' ' ' LYS . 3.4 mm-40 -62.8 -42.97 99.94 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 175.072 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -72.46 -38.53 68.23 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.029 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' A' ' 597' ' ' LYS . 6.5 mm-40 -60.03 -46.73 88.53 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.824 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -69.92 -37.37 75.92 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.421 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 591' ' ' GLU . 3.0 tppt? -64.27 -35.75 81.86 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 121.291 0.567 . . . . 0.0 109.625 179.033 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 596' ' ' ARG . . . . . 0.638 ' O ' ' HG3' ' A' ' 600' ' ' GLU . 10.3 ttp85 -57.96 -50.69 72.53 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 114.858 -1.064 . . . . 0.0 109.464 176.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . 0.652 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 13.0 mmmm -58.23 -41.32 83.89 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.423 178.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -61.11 -53.49 56.37 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.9 0.857 . . . . 0.0 111.144 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.675 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.4 tm? -59.31 -40.57 86.67 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.688 179.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . 0.638 ' HG3' ' O ' ' A' ' 596' ' ' ARG . 32.5 mt-10 -58.8 -37.15 75.7 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.172 176.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 601' ' ' GLN . . . . . 0.652 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 76.3 mt-30 -66.2 -31.83 72.89 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 111.589 0.218 . . . . 0.0 111.589 178.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . 0.68 HG11 ' HG2' ' A' ' 573' ' ' LYS . 1.5 p -75.45 -40.28 41.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.024 -0.67 . . . . 0.0 111.114 179.292 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 603' ' ' CYS . . . . . 0.765 ' HB2' HD13 ' A' ' 607' ' ' ILE . 25.1 p -83.08 -25.08 32.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.906 -177.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 604' ' ' ASN . . . . . 0.626 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 15.9 t30 -48.72 -55.49 19.57 Favored Pre-proline 0 N--CA 1.473 0.705 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -177.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 605' ' ' PRO . . . . . 0.626 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 51.7 Cg_exo -58.51 -25.12 72.82 Favored 'Trans proline' 0 C--N 1.357 1.01 0 C-N-CA 122.032 1.821 . . . . 0.0 112.536 -179.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 606' ' ' ILE . . . . . 0.781 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -91.37 -40.38 12.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.562 -175.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 607' ' ' ILE . . . . . 0.765 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.2 mp -68.29 -22.42 27.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 C-N-CA 123.523 0.729 . . . . 0.0 111.971 -176.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 13.1 m -56.68 -29.45 62.37 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -113.15 10.73 24.61 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.443 -0.884 . . . . 0.0 112.717 -177.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 610' ' ' LEU . . . . . 0.784 HD21 ' HB ' ' A' ' 562' ' ' ILE . 52.1 mt . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.56 -0.733 . . . . 0.0 110.541 -177.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 120.732 0.301 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.492 ' O ' ' HB2' ' A' ' 542' ' ' LEU . . . -70.1 -28.16 65.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.222 -175.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -67.81 -46.89 70.63 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -62.57 -43.24 99.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.539 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -62.73 -44.47 96.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.425 177.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.628 HD21 ' HB2' ' A' ' 596' ' ' ARG . 0.2 OUTLIER -63.56 -47.34 81.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.424 -178.146 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . 0.477 ' HG3' HD13 ' A' ' 581' ' ' LEU . 5.4 tt0 -63.61 -49.18 74.33 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.388 -177.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 60.5 m -64.71 -32.33 73.96 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.04 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . 0.431 ' CD1' HD12 ' A' ' 599' ' ' LEU . 2.0 t80 -66.07 -49.29 68.15 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -63.14 -44.73 94.71 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 178.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -56.22 -41.47 75.72 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.535 176.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -59.56 -50.23 74.7 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.571 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 549' ' ' MET . . . . . . . . . . . . . 22.0 mmt -66.3 -43.86 85.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.357 0.599 . . . . 0.0 110.176 -178.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . 0.596 ' HG3' HD23 ' A' ' 571' ' ' LEU . 4.2 ttmm -59.44 -48.87 79.99 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.882 -1.053 . . . . 0.0 111.416 177.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 6.2 t -66.55 -35.4 80.14 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.867 179.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -64.76 -45.63 85.6 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 553' ' ' VAL . . . . . 0.822 HG11 HG11 ' A' ' 570' ' ' VAL . 29.6 m -74.4 -35.84 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.308 0.575 . . . . 0.0 111.109 -178.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 554' ' ' GLU . . . . . 0.721 ' HG2' HD11 ' A' ' 571' ' ' LEU . 3.5 mm-40 -86.4 5.05 36.82 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.827 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 555' ' ' ASP . . . . . 0.563 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 25.9 t70 -68.44 138.53 55.36 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.098 177.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 556' ' ' GLU . . . . . 0.441 ' O ' ' HE3' ' A' ' 559' ' ' LYS . 9.5 mm-40 -70.11 -12.3 61.5 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -177.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -101.46 -32.31 5.22 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.219 -0.991 . . . . 0.0 111.073 177.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.563 ' HB2' ' HB3' ' A' ' 555' ' ' ASP . 15.5 mt -87.24 -7.62 57.69 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.709 0.29 . . . . 0.0 111.47 178.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . 0.441 ' HE3' ' O ' ' A' ' 556' ' ' GLU . 21.5 pttp -65.38 124.12 21.42 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 172.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 106.11 -32.72 7.07 Favored Glycine 0 N--CA 1.448 -0.529 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 -172.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . 0.554 ' HG3' HD23 ' A' ' 558' ' ' LEU . 30.6 mmtm -69.09 -38.54 79.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.49 0.662 . . . . 0.0 109.322 174.151 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . 0.904 ' HB ' HD21 ' A' ' 610' ' ' LEU . 5.7 tt -109.22 150.04 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.724 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.738 178.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 19.0 m -82.09 163.27 22.14 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.317 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -58.77 -47.11 85.83 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 -173.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -60.93 -39.58 89.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.797 -175.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 566' ' ' ASP . . . . . 0.551 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 21.9 m-20 -70.45 -45.29 66.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.541 -178.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.577 ' HE2' ' O ' ' A' ' 553' ' ' VAL . 23.3 ttmt -55.91 -47.7 76.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.244 0.545 . . . . 0.0 110.048 174.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -62.56 -45.17 94.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.859 -177.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 569' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 18.7 ptmt -65.05 -45.53 84.98 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.533 -176.244 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 570' ' ' VAL . . . . . 0.822 HG11 HG11 ' A' ' 553' ' ' VAL . 12.5 p -70.46 -41.07 78.16 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.558 -177.033 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . 0.721 HD11 ' HG2' ' A' ' 554' ' ' GLU . 48.6 mt -59.88 -46.69 88.5 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.149 0.5 . . . . 0.0 110.197 176.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -63.89 -45.1 90.86 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.651 -178.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 573' ' ' LYS . . . . . 0.565 ' O ' HG12 ' A' ' 577' ' ' VAL . 48.2 tptt -65.62 -39.32 91.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.778 177.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 574' ' ' CYS . . . . . 0.6 ' SG ' HD12 ' A' ' 578' ' ' ILE . 5.5 t -60.42 -41.79 94.68 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.556 0.693 . . . . 0.0 110.066 177.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -61.17 -40.32 93.43 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 114.955 -1.021 . . . . 0.0 111.519 175.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -57.62 -56.26 24.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.969 0.414 . . . . 0.0 110.51 177.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 577' ' ' VAL . . . . . 0.565 HG12 ' O ' ' A' ' 573' ' ' LYS . 0.8 OUTLIER -63.32 -43.33 98.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.404 -179.393 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 578' ' ' ILE . . . . . 0.97 ' HA ' HD12 ' A' ' 581' ' ' LEU . 13.7 mt -61.53 -40.41 86.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.61 0.243 . . . . 0.0 111.438 -178.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 70.1 m -70.89 -30.77 67.23 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.717 176.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -71.49 -37.58 71.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.876 178.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 581' ' ' LEU . . . . . 0.97 HD12 ' HA ' ' A' ' 578' ' ' ILE . 23.4 mt -60.48 -46.63 89.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.74 177.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -65.89 -33.1 75.07 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.227 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -82.74 -31.7 28.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.986 -176.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . 0.431 ' HB3' ' HB2' ' A' ' 587' ' ' ALA . 37.8 m-80 -119.19 63.6 0.79 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.258 0.552 . . . . 0.0 111.25 -177.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 71.7 p -77.03 -12.3 59.92 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.955 0.883 . . . . 0.0 109.094 174.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . 0.485 HD22 ' N ' ' A' ' 586' ' ' LEU . 1.7 mm? -93.54 5.48 51.44 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 114.255 -1.339 . . . . 0.0 110.141 -179.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . 0.431 ' HB2' ' HB3' ' A' ' 584' ' ' ASN . . . -72.28 160.6 32.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.284 178.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -91.05 171.14 9.47 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.66 176.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 21.3 pttm -54.36 -44.7 72.41 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.285 0.564 . . . . 0.0 111.75 -173.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 590' ' ' ASP . . . . . 0.431 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 6.6 m-20 -65.56 -30.44 71.18 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.351 -174.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . 0.416 ' HB2' ' HB1' ' A' ' 587' ' ' ALA . 7.7 mm-40 -60.36 -41.63 94.11 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.229 0.538 . . . . 0.0 109.933 177.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 592' ' ' PHE . . . . . 0.48 ' O ' HD21 ' A' ' 542' ' ' LEU . 83.8 m-85 -67.61 -45.62 74.93 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.401 175.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . 0.474 ' O ' ' HG2' ' A' ' 597' ' ' LYS . 11.9 mm-40 -59.44 -36.6 76.23 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.55 -178.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -64.37 -43.51 94.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.179 0.514 . . . . 0.0 109.851 174.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . 0.443 ' HD3' ' HA ' ' A' ' 595' ' ' LYS . 0.3 OUTLIER -65.95 -35.68 81.25 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.636 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 596' ' ' ARG . . . . . 0.628 ' HB2' HD21 ' A' ' 542' ' ' LEU . 33.5 ttp85 -60.82 -37.19 81.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.91 178.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . 0.606 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 39.2 mmtm -62.26 -48.59 79.26 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-O 121.309 0.576 . . . . 0.0 109.856 174.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -60.2 -56.07 26.07 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.964 -175.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.667 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.8 tm? -59.2 -38.1 79.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.627 -177.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . 0.549 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 39.7 tt0 -58.94 -41.65 87.92 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.851 176.153 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 601' ' ' GLN . . . . . 0.606 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 90.5 mt-30 -65.17 -32.58 74.33 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -178.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . 0.667 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.6 p -74.28 -40.29 50.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.786 -179.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 603' ' ' CYS . . . . . 0.647 ' HA ' HD13 ' A' ' 606' ' ' ILE . 8.4 p -83.33 -27.51 29.69 Favored 'General case' 0 C--O 1.223 -0.298 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -177.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 604' ' ' ASN . . . . . 0.599 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 25.7 t30 -49.9 -52.27 53.66 Favored Pre-proline 0 CA--C 1.543 0.68 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -175.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 605' ' ' PRO . . . . . 0.599 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 49.2 Cg_exo -60.55 -30.67 91.12 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 122.141 1.894 . . . . 0.0 112.492 178.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 606' ' ' ILE . . . . . 0.668 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -81.19 -40.13 18.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.27 -178.479 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 607' ' ' ILE . . . . . 0.622 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -64.72 -29.69 48.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.342 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 48.2 m -69.0 -11.71 61.03 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.646 178.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -113.85 -4.45 22.81 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.949 -0.643 . . . . 0.0 111.699 177.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 610' ' ' LEU . . . . . 0.904 HD21 ' HB ' ' A' ' 562' ' ' ILE . 59.6 mt . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.592 -0.718 . . . . 0.0 110.504 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 5.3 p . . . . . 0 N--CA 1.482 1.147 0 CA-C-O 120.591 0.234 . . . . 0.0 111.496 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.654 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . -69.38 -25.83 64.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.223 -177.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . 0.615 ' NZ ' ' HB3' ' A' ' 581' ' ' LEU . 3.4 tmtm? -67.99 -49.56 60.91 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 177.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -61.96 -42.93 99.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.65 -1.159 . . . . 0.0 110.737 177.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 541' ' ' ALA . . . . . 0.438 ' O ' ' HB2' ' A' ' 545' ' ' TYR . . . -62.11 -49.45 75.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 178.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.854 HD12 HG21 ' A' ' 577' ' ' VAL . 0.5 OUTLIER -63.35 -47.87 80.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.306 -0.407 . . . . 0.0 112.062 -176.479 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . 0.709 ' HG3' HD13 ' A' ' 581' ' ' LEU . 10.2 tt0 -68.39 -42.4 79.13 Favored 'General case' 0 N--CA 1.438 -1.05 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.022 -174.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 23.0 t -65.61 -39.44 91.53 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.051 177.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . 0.531 ' CZ ' ' HG2' ' A' ' 600' ' ' GLU . 1.7 t80 -62.98 -48.55 78.36 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.055 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.97 -42.98 89.19 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.473 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -56.84 -44.27 81.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.362 174.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -59.33 -49.59 77.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.793 -179.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 549' ' ' MET . . . . . 0.445 ' HG2' ' O ' ' A' ' 545' ' ' TYR . 24.6 mmt -65.77 -41.46 92.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.198 0.523 . . . . 0.0 110.54 -178.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . 0.719 ' HG3' HD23 ' A' ' 571' ' ' LEU . 5.2 ttmm -61.46 -46.21 91.03 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.003 177.4 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 32.9 m -65.96 -35.36 80.38 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 176.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -63.92 -45.17 90.45 Favored 'General case' 0 C--O 1.225 -0.233 0 CA-C-O 120.776 0.322 . . . . 0.0 111.839 -177.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 553' ' ' VAL . . . . . 0.727 HG11 HG11 ' A' ' 570' ' ' VAL . 35.2 m -77.01 -35.79 23.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.095 0.474 . . . . 0.0 111.269 -178.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 554' ' ' GLU . . . . . 0.491 ' HB2' ' O ' ' A' ' 550' ' ' LYS . 0.4 OUTLIER -88.0 4.27 45.66 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.677 -178.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 555' ' ' ASP . . . . . 0.547 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 32.5 t70 -68.29 135.82 52.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.2 0.524 . . . . 0.0 110.767 178.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -69.66 -9.41 54.15 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.657 -0.702 . . . . 0.0 112.498 -176.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -102.2 -28.02 6.66 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.022 175.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 1.078 HD23 ' HD2' ' A' ' 561' ' ' LYS . 4.4 mt -91.7 -11.21 37.53 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.607 0.241 . . . . 0.0 111.455 179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 57.3 pttt -64.73 127.6 32.23 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.163 -0.681 . . . . 0.0 109.163 173.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 103.44 -27.32 20.37 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.753 -0.736 . . . . 0.0 111.502 -172.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . 1.078 ' HD2' HD23 ' A' ' 558' ' ' LEU . 81.0 mttt -78.89 -38.19 38.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.323 0.582 . . . . 0.0 109.761 176.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . 0.776 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.6 tt -106.28 150.31 9.0 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.182 -179.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.76 145.06 34.61 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 175.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 568' ' ' LYS . 21.5 mm-40 -59.99 -31.68 70.14 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.617 -172.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -61.73 -43.22 99.27 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.978 -0.289 . . . . 0.0 111.038 177.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 566' ' ' ASP . . . . . 0.608 ' HB3' ' HB ' ' A' ' 606' ' ' ILE . 2.2 m-20 -68.64 -45.29 72.21 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 179.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.555 ' HE2' ' O ' ' A' ' 553' ' ' VAL . 35.8 ttmt -54.78 -48.36 72.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.894 175.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 564' ' ' GLU . 57.4 mtpt -63.53 -48.98 75.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.52 -178.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 569' ' ' LYS . . . . . 0.473 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 18.3 ptmt -60.97 -43.85 98.19 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.433 -174.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 570' ' ' VAL . . . . . 0.727 HG11 HG11 ' A' ' 553' ' ' VAL . 11.1 p -70.91 -44.57 75.77 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.498 -179.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . 0.719 HD23 ' HG3' ' A' ' 550' ' ' LYS . 29.1 mt -56.88 -47.24 80.93 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.037 0.446 . . . . 0.0 110.11 178.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -59.46 -46.95 87.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.407 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 573' ' ' LYS . . . . . 0.616 ' CG ' HG11 ' A' ' 602' ' ' VAL . 48.7 tptt -66.84 -40.77 88.04 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.129 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 574' ' ' CYS . . . . . 0.412 ' SG ' HD21 ' A' ' 599' ' ' LEU . 87.4 m -59.34 -38.34 80.09 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.964 0.412 . . . . 0.0 110.38 176.145 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -66.13 -37.28 85.31 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.059 176.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.84 -53.06 62.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.781 177.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 577' ' ' VAL . . . . . 0.854 HG21 HD12 ' A' ' 542' ' ' LEU . 0.6 OUTLIER -66.18 -43.68 91.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.335 179.551 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 578' ' ' ILE . . . . . 0.987 ' HA ' HD12 ' A' ' 581' ' ' LEU . 26.4 mt -61.67 -40.15 85.73 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -178.134 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 20.4 p -71.66 -33.93 69.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.137 0.494 . . . . 0.0 110.589 176.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 51.3 t90 -66.21 -35.44 80.46 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 176.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 581' ' ' LEU . . . . . 0.987 HD12 ' HA ' ' A' ' 578' ' ' ILE . 17.1 mt -61.76 -47.09 86.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.612 178.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -62.95 -35.32 79.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.507 0.67 . . . . 0.0 109.907 177.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -75.9 -31.46 59.2 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.912 -1.04 . . . . 0.0 111.686 -177.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . 0.682 ' HB3' ' HB2' ' A' ' 587' ' ' ALA . 41.3 m-80 -126.5 69.83 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.662 -177.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.44 -29.5 52.89 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.412 0.625 . . . . 0.0 110.65 177.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . 0.448 HD22 ' N ' ' A' ' 586' ' ' LEU . 3.0 mm? -96.51 6.28 49.07 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.793 -175.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . 0.682 ' HB2' ' HB3' ' A' ' 584' ' ' ASN . . . -56.18 156.2 5.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.502 176.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -78.75 162.17 26.33 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.081 175.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . 0.768 ' HD2' ' H ' ' A' ' 590' ' ' ASP . 0.0 OUTLIER -56.22 -41.93 76.45 Favored 'General case' 0 C--N 1.316 -0.86 0 O-C-N 123.252 0.345 . . . . 0.0 111.681 -175.461 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 590' ' ' ASP . . . . . 0.768 ' H ' ' HD2' ' A' ' 589' ' ' LYS . 12.9 m-20 -57.94 -35.23 70.83 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 111.733 0.272 . . . . 0.0 111.733 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -61.24 -45.58 93.93 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.377 0.608 . . . . 0.0 109.707 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 592' ' ' PHE . . . . . 0.654 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 82.1 m-85 -66.84 -39.24 87.55 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.627 175.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . 0.476 ' O ' ' HG2' ' A' ' 597' ' ' LYS . 19.8 mm-40 -59.28 -40.49 86.23 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.356 -178.047 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -64.63 -43.2 94.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.011 0.434 . . . . 0.0 110.085 174.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . 0.548 ' HA ' ' HE3' ' A' ' 595' ' ' LYS . 0.0 OUTLIER -60.68 -37.61 82.16 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.863 179.174 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 596' ' ' ARG . . . . . 0.787 ' HB2' HD21 ' A' ' 542' ' ' LEU . 53.8 ttp85 -60.83 -49.91 75.59 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.017 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . 0.5 ' O ' ' HG2' ' A' ' 601' ' ' GLN . 24.1 mmmt -57.69 -43.73 85.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.45 -178.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . 0.438 ' OE1' ' HE3' ' A' ' 595' ' ' LYS . 45.3 mt-10 -60.15 -50.82 72.18 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.068 178.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.697 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.4 tm? -59.35 -44.42 92.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.694 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . 0.669 ' HG3' ' O ' ' A' ' 596' ' ' ARG . 33.3 mt-10 -57.23 -46.29 83.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.096 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 601' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 597' ' ' LYS . 13.6 mm100 -68.32 -22.99 64.67 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 -178.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . 0.697 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.3 p -76.39 -41.86 35.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.711 175.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 603' ' ' CYS . . . . . 0.574 ' HB2' HD13 ' A' ' 607' ' ' ILE . 6.7 p -82.96 -27.73 30.29 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.645 -176.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 604' ' ' ASN . . . . . 0.635 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 37.2 t30 -49.87 -52.16 54.43 Favored Pre-proline 0 CA--C 1.54 0.562 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -177.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 605' ' ' PRO . . . . . 0.635 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 51.2 Cg_exo -60.52 -26.28 82.47 Favored 'Trans proline' 0 C--N 1.358 1.038 0 C-N-CA 122.145 1.897 . . . . 0.0 112.394 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 606' ' ' ILE . . . . . 0.776 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -85.8 -40.54 14.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.014 -179.18 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 607' ' ' ILE . . . . . 0.584 ' N ' HG12 ' A' ' 606' ' ' ILE . 1.3 mp -64.19 -27.9 43.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.292 178.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 24.5 t -61.85 -20.47 63.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.723 176.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -117.55 27.7 7.48 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.868 -0.682 . . . . 0.0 111.985 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 610' ' ' LEU . . . . . 0.554 HD22 HD22 ' A' ' 558' ' ' LEU . 50.1 mt . . . . . 0 C--O 1.252 1.199 0 CA-C-O 118.401 -0.809 . . . . 0.0 110.513 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 N--CA 1.476 0.861 0 CA-C-O 120.921 0.391 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.618 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . -61.82 -36.09 80.13 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.23 -178.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 2.5 tmtm? -62.03 -48.77 78.8 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -178.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -64.17 -48.15 77.11 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.727 -178.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 541' ' ' ALA . . . . . 0.499 ' O ' ' HB2' ' A' ' 545' ' ' TYR . . . -62.39 -35.04 77.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.568 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.837 HD12 HD21 ' A' ' 581' ' ' LEU . 1.7 tm? -72.41 -48.07 44.18 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.182 -178.058 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . 1.026 ' HG3' HD13 ' A' ' 581' ' ' LEU . 5.9 tt0 -67.51 -47.11 70.92 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 120.771 0.319 . . . . 0.0 110.181 -178.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 48.8 m -57.73 -35.61 70.91 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.403 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . 0.499 ' HB2' ' O ' ' A' ' 541' ' ' ALA . 2.6 t80 -63.91 -50.28 69.35 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 178.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -66.42 -42.89 87.1 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 120.985 0.422 . . . . 0.0 110.317 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -57.41 -41.48 80.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.358 175.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 -63.66 -49.53 72.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.901 -0.591 . . . . 0.0 112.051 -178.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 549' ' ' MET . . . . . 0.445 ' HG2' ' O ' ' A' ' 545' ' ' TYR . 23.4 mmt -64.84 -41.49 95.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.454 0.645 . . . . 0.0 110.006 -179.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . 0.602 ' HG3' HD23 ' A' ' 571' ' ' LEU . 3.0 ttmm -60.34 -45.37 93.67 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.792 -1.095 . . . . 0.0 110.995 175.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 69.2 m -66.17 -36.35 82.86 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.583 -0.281 . . . . 0.0 111.595 178.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -65.08 -45.72 84.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.725 -177.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 553' ' ' VAL . . . . . 0.797 HG11 HG11 ' A' ' 570' ' ' VAL . 33.2 m -76.4 -36.16 28.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.286 0.565 . . . . 0.0 111.134 -179.164 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 554' ' ' GLU . . . . . 0.67 ' HA ' ' HE3' ' A' ' 567' ' ' LYS . 1.9 mm-40 -84.33 3.47 35.58 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.049 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 555' ' ' ASP . . . . . 0.54 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 30.9 t70 -64.82 132.99 51.01 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 176.13 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -70.81 -7.78 47.77 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.471 -175.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -101.87 -38.04 3.26 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.338 -0.934 . . . . 0.0 111.496 175.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.776 ' HA ' ' HD2' ' A' ' 561' ' ' LYS . 5.9 mt -80.5 -9.96 59.75 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 57.6 pttt -64.01 116.66 6.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.337 0.589 . . . . 0.0 109.466 174.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 113.76 -37.06 3.73 Favored Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -172.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . 0.776 ' HD2' ' HA ' ' A' ' 558' ' ' LEU . 78.8 mttt -66.63 -35.77 80.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.477 0.656 . . . . 0.0 110.215 175.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . 0.73 ' HB ' HD21 ' A' ' 610' ' ' LEU . 6.1 tt -106.11 151.19 8.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.14 174.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 19.6 m -70.97 143.3 50.9 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 175.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -59.93 -31.51 69.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.177 -176.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -62.98 -43.32 99.11 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.317 177.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 566' ' ' ASP . . . . . 0.627 ' HA ' ' HD3' ' A' ' 569' ' ' LYS . 36.1 m-20 -68.48 -43.37 77.1 Favored 'General case' 0 CA--C 1.509 -0.608 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 177.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.687 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 86.0 tttt -54.74 -48.2 72.88 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.022 175.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -68.45 -44.44 74.86 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.94 -177.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 569' ' ' LYS . . . . . 0.627 ' HD3' ' HA ' ' A' ' 566' ' ' ASP . 21.2 pttt -63.9 -43.19 96.73 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.292 -176.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 570' ' ' VAL . . . . . 0.797 HG11 HG11 ' A' ' 553' ' ' VAL . 12.5 p -70.44 -40.15 77.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.663 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . 0.602 HD23 ' HG3' ' A' ' 550' ' ' LYS . 36.1 mt -59.06 -47.38 85.45 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 175.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -59.43 -47.1 86.77 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.699 177.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 573' ' ' LYS . . . . . 0.677 ' HZ1' ' HB3' ' A' ' 598' ' ' GLU . 48.5 tptt -63.76 -41.45 97.99 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.809 179.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 574' ' ' CYS . . . . . 0.562 ' SG ' HD21 ' A' ' 599' ' ' LEU . 96.6 m -62.5 -38.41 89.78 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.27 0.557 . . . . 0.0 109.888 177.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -65.62 -39.11 91.13 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.66 176.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.44 -55.3 36.62 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.369 176.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 577' ' ' VAL . . . . . 0.603 HG12 ' O ' ' A' ' 573' ' ' LYS . 1.3 p -66.68 -41.72 88.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.906 -179.236 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 578' ' ' ILE . . . . . 0.926 ' HA ' HD12 ' A' ' 581' ' ' LEU . 19.9 mt -61.25 -37.79 78.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.753 0.311 . . . . 0.0 110.968 179.221 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 45.8 m -68.83 -37.32 79.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.143 0.497 . . . . 0.0 110.191 174.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 56.3 t90 -65.12 -35.92 82.65 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.609 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 581' ' ' LEU . . . . . 1.026 HD13 ' HG3' ' A' ' 543' ' ' GLU . 14.6 mt -63.01 -47.28 83.77 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.151 -0.932 . . . . 0.0 111.646 178.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -64.05 -34.23 77.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.855 178.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -77.76 -31.27 51.94 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.735 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . 0.584 ' HB3' ' HB2' ' A' ' 587' ' ' ALA . 27.5 m-80 -118.96 63.6 0.78 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.104 -177.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 8.4 p -76.54 -12.83 60.09 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.948 176.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -105.28 7.09 33.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.512 -177.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . 0.584 ' HB2' ' HB3' ' A' ' 584' ' ' ASN . . . -62.48 153.78 30.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.009 178.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -85.44 170.98 12.17 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.125 176.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.21 -46.22 79.56 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.335 0.494 . . . . 0.0 112.335 -172.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 590' ' ' ASP . . . . . 0.483 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 7.6 p-10 -67.53 -22.81 65.4 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -176.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.88 -49.31 78.2 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 172.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 592' ' ' PHE . . . . . 0.618 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 84.0 m-85 -67.36 -44.45 78.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.18 179.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . 0.483 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 53.1 mt-10 -60.46 -40.93 92.99 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.715 -177.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -69.37 -40.49 77.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.983 0.42 . . . . 0.0 110.321 177.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . 0.456 ' HG2' HG23 ' A' ' 577' ' ' VAL . 16.9 tppt? -61.79 -36.46 81.17 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.289 175.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 596' ' ' ARG . . . . . 0.507 ' HB2' HD23 ' A' ' 542' ' ' LEU . 28.5 ttp180 -60.25 -38.47 83.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.84 178.185 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . 0.575 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 28.5 mmmt -64.71 -40.29 95.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.889 176.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . 0.677 ' HB3' ' HZ1' ' A' ' 573' ' ' LYS . 49.1 mt-10 -60.12 -56.25 23.91 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.688 0.756 . . . . 0.0 110.868 177.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.689 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.5 tm? -59.79 -40.34 87.98 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.728 -1.124 . . . . 0.0 109.253 -177.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . 0.485 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 31.9 tt0 -55.99 -47.24 78.08 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.945 177.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 601' ' ' GLN . . . . . 0.575 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 15.3 mt-30 -69.23 -24.16 63.97 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.484 -0.486 . . . . 0.0 112.092 -176.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . 0.689 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.6 p -76.27 -40.87 36.32 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 119.946 -0.701 . . . . 0.0 110.677 176.092 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 603' ' ' CYS . . . . . 0.608 ' HB2' HD13 ' A' ' 607' ' ' ILE . 17.3 p -83.32 -28.38 29.09 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.55 -177.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 604' ' ' ASN . . . . . 0.543 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 10.0 t30 -50.71 -52.1 59.67 Favored Pre-proline 0 CA--C 1.539 0.537 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -176.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 605' ' ' PRO . . . . . 0.543 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 60.7 Cg_exo -55.82 -34.25 90.74 Favored 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 122.237 1.958 . . . . 0.0 112.262 177.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 606' ' ' ILE . . . . . 0.674 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -81.27 -40.37 18.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.283 -176.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 607' ' ' ILE . . . . . 0.608 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -66.44 -35.58 75.25 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.902 -179.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 69.0 m -66.32 -20.54 66.12 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 120.813 0.339 . . . . 0.0 111.23 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -98.9 -9.45 52.21 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.9 178.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 610' ' ' LEU . . . . . 0.73 HD21 ' HB ' ' A' ' 562' ' ' ILE . 65.4 mt . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.693 -0.67 . . . . 0.0 110.736 -178.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 20.4 m . . . . . 0 N--CA 1.474 0.754 0 CA-C-O 120.432 0.158 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.539 ' O ' ' HB2' ' A' ' 542' ' ' LEU . . . -64.91 -29.95 70.92 Favored 'General case' 0 C--O 1.227 -0.112 0 CA-C-O 120.539 0.209 . . . . 0.0 110.857 179.308 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . 0.64 ' HE3' HG22 ' A' ' 585' ' ' THR . 13.4 tmtt? -65.01 -45.99 83.25 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 176.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -63.82 -47.6 80.17 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.638 177.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -58.13 -48.24 80.84 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 178.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.658 HD12 HG21 ' A' ' 577' ' ' VAL . 0.2 OUTLIER -62.0 -46.75 87.87 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.239 -177.523 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . 0.505 ' CB ' HD13 ' A' ' 581' ' ' LEU . 11.2 tt0 -67.05 -44.72 79.45 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.217 -176.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 63.7 m -66.48 -32.23 73.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.397 177.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . 0.423 ' O ' ' HG2' ' A' ' 549' ' ' MET . 4.7 t80 -66.14 -50.24 64.65 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.86 -40.51 91.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.213 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -57.63 -42.77 84.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.531 174.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -64.06 -49.11 73.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.733 -178.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 549' ' ' MET . . . . . 0.423 ' HG2' ' O ' ' A' ' 545' ' ' TYR . 21.3 mmt -62.96 -43.21 99.43 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.307 0.575 . . . . 0.0 109.942 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . 0.577 ' HG3' HD23 ' A' ' 571' ' ' LEU . 4.6 ttmm -58.36 -48.24 81.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.264 175.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 50.8 m -66.28 -36.28 82.57 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.605 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -64.75 -45.18 87.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.859 0.361 . . . . 0.0 111.759 -176.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 553' ' ' VAL . . . . . 0.826 HG11 HG11 ' A' ' 570' ' ' VAL . 35.0 m -75.55 -36.66 35.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.213 0.53 . . . . 0.0 111.057 -178.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 554' ' ' GLU . . . . . 0.693 ' HG2' HD11 ' A' ' 571' ' ' LEU . 3.8 mm-40 -86.24 4.11 40.22 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.892 -178.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 555' ' ' ASP . . . . . 0.603 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 29.2 t70 -65.9 141.21 58.32 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.378 0.608 . . . . 0.0 111.435 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 556' ' ' GLU . . . . . 0.589 ' O ' ' HG2' ' A' ' 559' ' ' LYS . 9.0 pt-20 -70.94 -16.61 62.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.13 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -94.2 -41.22 4.34 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.414 -0.898 . . . . 0.0 111.223 177.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.66 ' HA ' ' HG3' ' A' ' 561' ' ' LYS . 14.9 mt -80.65 1.63 29.17 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.236 -0.482 . . . . 0.0 111.947 178.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . 0.589 ' HG2' ' O ' ' A' ' 556' ' ' GLU . 18.1 ptpt -64.22 127.45 31.51 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 175.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 95.0 -20.48 48.94 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.816 -177.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . 0.66 ' HG3' ' HA ' ' A' ' 558' ' ' LEU . 32.1 mmtm -74.15 -35.23 64.05 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 176.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . 0.764 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.9 tt -111.19 151.63 13.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.155 -0.93 . . . . 0.0 109.887 178.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 24.9 m -77.64 156.18 30.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.409 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -55.25 -47.42 75.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.75 0.31 . . . . 0.0 111.123 -176.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -59.0 -43.13 91.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.89 -175.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 566' ' ' ASP . . . . . 0.549 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 14.4 m-20 -67.14 -47.94 69.58 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -178.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.701 ' HE2' ' O ' ' A' ' 553' ' ' VAL . 35.8 ttmt -54.95 -48.9 72.59 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.454 176.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 58.9 mtpt -62.25 -45.62 92.5 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.734 -177.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 569' ' ' LYS . . . . . 0.549 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 17.4 pttt -67.34 -44.16 79.75 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.725 -175.321 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 570' ' ' VAL . . . . . 0.826 HG11 HG11 ' A' ' 553' ' ' VAL . 12.5 p -70.03 -38.57 75.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.824 -177.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . 0.693 HD11 ' HG2' ' A' ' 554' ' ' GLU . 35.5 mt -61.59 -49.08 78.05 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.848 0.356 . . . . 0.0 110.087 176.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -59.91 -43.94 94.57 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.399 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 573' ' ' LYS . . . . . 0.617 ' CG ' HG11 ' A' ' 602' ' ' VAL . 49.5 tptt -64.85 -42.54 94.8 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.863 177.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 574' ' ' CYS . . . . . 0.471 ' SG ' HD21 ' A' ' 599' ' ' LEU . 98.1 m -62.79 -39.19 93.48 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.537 178.232 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -64.65 -37.52 87.88 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.819 176.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -58.63 -55.54 33.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.646 178.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 577' ' ' VAL . . . . . 0.658 HG21 HD12 ' A' ' 542' ' ' LEU . 1.4 p -66.73 -40.38 85.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.723 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 578' ' ' ILE . . . . . 0.955 ' HA ' HD12 ' A' ' 581' ' ' LEU . 14.1 mt -60.97 -40.63 86.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.638 0.256 . . . . 0.0 111.584 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 13.1 p -72.67 -27.95 62.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.958 0.409 . . . . 0.0 110.632 176.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 80.0 t90 -71.18 -38.66 72.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.471 176.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 581' ' ' LEU . . . . . 0.955 HD12 ' HA ' ' A' ' 578' ' ' ILE . 44.7 mt -59.31 -44.36 92.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.635 176.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -65.15 -31.01 71.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.351 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -85.81 -32.33 21.82 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.708 -176.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -118.34 53.11 0.98 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.699 -176.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 585' ' ' THR . . . . . 0.64 HG22 ' HE3' ' A' ' 539' ' ' LYS . 18.7 p -68.85 -17.35 63.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.339 0.59 . . . . 0.0 110.656 177.277 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . 0.468 HD22 ' N ' ' A' ' 586' ' ' LEU . 2.2 mm? -96.18 5.58 50.73 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.144 -0.934 . . . . 0.0 110.75 -175.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -68.41 158.65 33.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.244 176.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -89.22 168.8 11.98 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 176.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . 0.454 ' O ' ' HG3' ' A' ' 593' ' ' GLU . 20.1 pttm -56.11 -44.76 79.39 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -170.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 590' ' ' ASP . . . . . 0.474 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 2.5 p-10 -60.01 -29.22 68.33 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -177.294 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -61.32 -44.23 97.55 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.353 0.596 . . . . 0.0 109.672 174.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 592' ' ' PHE . . . . . 0.49 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 90.8 m-85 -70.04 -44.62 68.85 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.743 177.241 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . 0.586 ' O ' ' HG2' ' A' ' 597' ' ' LYS . 45.2 mt-10 -58.29 -36.23 73.02 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.806 -177.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . 0.434 ' O ' ' HB2' ' A' ' 597' ' ' LYS . 2.1 t-80 -71.39 -39.45 71.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.219 0.533 . . . . 0.0 109.956 177.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . 0.45 ' HA ' ' HD3' ' A' ' 595' ' ' LYS . 11.7 tppt? -65.75 -35.72 81.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.248 177.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 596' ' ' ARG . . . . . 0.56 ' HB2' HD21 ' A' ' 542' ' ' LEU . 7.6 ttp180 -57.98 -44.54 87.2 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 175.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . 0.586 ' HG2' ' O ' ' A' ' 593' ' ' GLU . 66.9 mmtt -54.43 -46.3 73.21 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.418 177.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . 0.479 ' HB3' ' NZ ' ' A' ' 573' ' ' LYS . 49.1 mt-10 -60.68 -53.99 50.67 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.5 0.667 . . . . 0.0 110.959 176.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.643 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.0 tm? -60.54 -39.73 88.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.925 -177.161 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . 0.534 ' HG3' ' O ' ' A' ' 596' ' ' ARG . 51.7 mt-10 -55.94 -46.14 78.59 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.636 175.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 601' ' ' GLN . . . . . 0.539 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 45.8 mt-30 -68.65 -27.75 66.27 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -176.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . 0.643 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.6 p -75.84 -40.44 39.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 120.219 -0.592 . . . . 0.0 110.482 177.25 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 603' ' ' CYS . . . . . 0.641 ' HB2' HD13 ' A' ' 607' ' ' ILE . 19.8 p -83.03 -26.86 30.78 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.485 -177.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 604' ' ' ASN . . . . . 0.62 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 27.8 t30 -49.18 -54.01 33.43 Favored Pre-proline 0 N--CA 1.472 0.663 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 -176.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 605' ' ' PRO . . . . . 0.62 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 52.2 Cg_exo -58.94 -32.68 97.91 Favored 'Trans proline' 0 C--N 1.356 0.936 0 C-N-CA 122.009 1.806 . . . . 0.0 111.976 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 606' ' ' ILE . . . . . 0.764 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -81.23 -40.61 18.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 114.966 -1.015 . . . . 0.0 110.22 -177.244 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 607' ' ' ILE . . . . . 0.641 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -66.76 -30.85 51.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.076 178.01 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 30.3 t -62.97 -29.11 70.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.096 174.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -98.33 5.8 61.03 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.358 178.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 610' ' ' LEU . . . . . 0.585 HD22 HD22 ' A' ' 558' ' ' LEU . 60.7 mt . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.749 -0.643 . . . . 0.0 109.975 178.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 23.9 m . . . . . 0 N--CA 1.473 0.718 0 CA-C-O 121.144 0.497 . . . . 0.0 110.443 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.426 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . -64.56 -27.54 69.03 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.836 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . 0.556 ' NZ ' ' HB3' ' A' ' 581' ' ' LEU . 2.1 tmtm? -60.89 -49.78 76.06 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 176.31 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -62.07 -44.83 95.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.617 -178.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -62.87 -42.78 99.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.75 179.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.798 HD21 ' HB2' ' A' ' 596' ' ' ARG . 0.4 OUTLIER -65.32 -47.62 75.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.764 -177.908 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . 0.675 ' HG3' HD13 ' A' ' 581' ' ' LEU . 9.2 tt0 -66.9 -40.57 87.75 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.154 -176.404 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 39.6 m -66.29 -39.13 89.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.459 176.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . 0.571 ' CD1' HD12 ' A' ' 599' ' ' LEU . 2.6 t80 -62.45 -48.7 78.5 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 179.484 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.42 -44.3 87.81 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.233 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -56.78 -44.01 81.43 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.465 176.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -58.85 -48.88 79.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.793 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 549' ' ' MET . . . . . 0.464 ' HG2' ' O ' ' A' ' 545' ' ' TYR . 22.5 mmt -66.53 -42.39 87.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.291 0.567 . . . . 0.0 110.469 -179.129 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . 0.65 ' HG3' HD23 ' A' ' 571' ' ' LEU . 7.1 ttmm -61.53 -46.03 91.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.964 177.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 58.1 m -63.17 -36.16 82.72 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.584 176.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -65.81 -46.16 79.65 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 111.963 0.356 . . . . 0.0 111.963 -176.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 553' ' ' VAL . . . . . 0.791 HG11 HG11 ' A' ' 570' ' ' VAL . 34.6 m -76.83 -35.27 24.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.414 0.626 . . . . 0.0 111.542 -178.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 554' ' ' GLU . . . . . 0.697 ' HA ' ' HE3' ' A' ' 567' ' ' LYS . 0.6 OUTLIER -85.9 4.16 38.64 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.868 -179.415 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 555' ' ' ASP . . . . . 0.475 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 32.0 t70 -67.63 138.41 56.37 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.194 0.521 . . . . 0.0 110.777 178.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 556' ' ' GLU . . . . . 0.619 ' O ' ' HG2' ' A' ' 559' ' ' LYS . 40.0 mm-40 -70.0 -18.45 63.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.584 -0.734 . . . . 0.0 112.096 -176.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -91.26 -32.92 8.42 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.354 -0.927 . . . . 0.0 111.127 178.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 1.01 ' HA ' ' HD2' ' A' ' 561' ' ' LYS . 5.6 mt -86.69 2.28 49.11 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.439 -0.38 . . . . 0.0 111.846 179.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . 0.619 ' HG2' ' O ' ' A' ' 556' ' ' GLU . 6.6 ptpp? -64.23 130.08 42.46 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 174.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 91.04 -24.46 18.33 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.528 -0.844 . . . . 0.0 111.976 -175.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . 1.01 ' HD2' ' HA ' ' A' ' 558' ' ' LEU . 87.7 mttt -73.68 -39.32 64.49 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.333 0.587 . . . . 0.0 110.588 178.356 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . 0.72 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.4 tt -107.37 151.57 9.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.477 175.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 22.1 m -77.16 152.59 34.78 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -56.61 -43.73 80.44 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.142 0.276 . . . . 0.0 110.693 -176.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -58.27 -43.2 87.83 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.59 -177.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 566' ' ' ASP . . . . . 0.538 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 37.3 m-20 -67.57 -48.63 66.37 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.697 ' HE3' ' HA ' ' A' ' 554' ' ' GLU . 85.5 tttt -54.55 -48.0 72.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.668 176.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . 0.401 ' NZ ' ' HB3' ' A' ' 568' ' ' LYS . 10.1 mtpm? -61.93 -47.1 86.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.644 -178.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 569' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 18.0 ptmt -64.35 -44.68 90.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.426 -174.32 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 570' ' ' VAL . . . . . 0.791 HG11 HG11 ' A' ' 553' ' ' VAL . 13.8 p -70.82 -38.34 72.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.534 -179.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . 0.65 HD23 ' HG3' ' A' ' 550' ' ' LYS . 45.6 mt -61.25 -48.73 80.09 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.981 0.419 . . . . 0.0 110.003 176.218 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -60.87 -47.19 87.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.832 -179.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 573' ' ' LYS . . . . . 0.606 ' O ' HG12 ' A' ' 577' ' ' VAL . 49.9 tptt -65.85 -37.48 86.29 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.923 178.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 574' ' ' CYS . . . . . 0.598 ' SG ' HD12 ' A' ' 578' ' ' ILE . 4.7 t -59.48 -47.04 87.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.538 0.685 . . . . 0.0 109.944 175.114 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -59.7 -37.51 79.05 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.334 176.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -58.93 -55.47 34.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.706 0.289 . . . . 0.0 111.057 176.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 577' ' ' VAL . . . . . 0.75 HG21 HD12 ' A' ' 542' ' ' LEU . 1.0 OUTLIER -64.83 -42.45 94.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.09 -178.869 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 578' ' ' ILE . . . . . 0.927 ' HA ' HD12 ' A' ' 581' ' ' LEU . 30.2 mt -62.27 -41.47 91.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.865 0.364 . . . . 0.0 111.325 178.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 33.6 t -65.28 -38.44 90.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.278 0.561 . . . . 0.0 110.148 176.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 44.7 t90 -70.01 -35.3 74.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.463 -0.789 . . . . 0.0 109.847 179.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 581' ' ' LEU . . . . . 0.927 HD12 ' HA ' ' A' ' 578' ' ' ILE . 19.8 mt -59.05 -45.07 91.7 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.421 177.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -68.77 -33.09 73.3 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.187 178.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -80.78 -31.7 35.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.938 -176.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . 0.579 ' HB3' ' HB2' ' A' ' 587' ' ' ALA . 12.5 m120 -128.55 58.18 1.57 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.053 0.454 . . . . 0.0 110.786 -177.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.26 -19.54 64.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.383 0.611 . . . . 0.0 110.192 176.036 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . 0.475 HD22 ' N ' ' A' ' 586' ' ' LEU . 2.9 mm? -95.16 5.15 52.61 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.716 -177.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . 0.579 ' HB2' ' HB3' ' A' ' 584' ' ' ASN . . . -58.34 151.94 18.65 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -67.73 161.49 25.88 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.11 175.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -56.38 -44.36 80.12 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.194 0.521 . . . . 0.0 110.811 -176.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 590' ' ' ASP . . . . . 0.431 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 3.9 m-20 -61.54 -31.62 71.65 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.661 -177.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -61.38 -45.62 93.59 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 592' ' ' PHE . . . . . 0.54 ' O ' HD21 ' A' ' 542' ' ' LEU . 90.9 m-85 -65.89 -42.48 90.24 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.67 175.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . 0.491 ' O ' ' HG2' ' A' ' 597' ' ' LYS . 60.8 mm-40 -58.35 -42.73 87.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.215 -177.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -67.13 -38.69 85.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.002 0.429 . . . . 0.0 110.003 177.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . 0.549 ' HA ' ' HE3' ' A' ' 595' ' ' LYS . 0.4 OUTLIER -64.5 -36.16 83.31 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.725 179.521 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 596' ' ' ARG . . . . . 0.798 ' HB2' HD21 ' A' ' 542' ' ' LEU . 11.3 ttp180 -61.73 -41.95 98.32 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.058 -0.973 . . . . 0.0 109.815 177.254 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . 0.536 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 27.1 mmmt -67.1 -43.68 81.89 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.423 179.232 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -61.37 -51.18 69.86 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.574 178.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.715 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.4 tm? -60.19 -40.32 89.59 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 179.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . 0.482 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 30.1 tt0 -55.9 -48.69 75.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.881 175.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 601' ' ' GLN . . . . . 0.536 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 47.7 mt-30 -69.16 -22.44 63.93 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -178.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . 0.715 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.5 p -77.43 -40.51 28.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.099 176.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 603' ' ' CYS . . . . . 0.644 ' HB2' HD13 ' A' ' 607' ' ' ILE . 21.6 p -82.69 -27.12 31.45 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.472 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 604' ' ' ASN . . . . . 0.519 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 10.9 t30 -50.17 -50.43 69.94 Favored Pre-proline 0 CA--C 1.543 0.69 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -177.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 605' ' ' PRO . . . . . 0.519 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 50.1 Cg_exo -58.16 -25.62 72.33 Favored 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 122.27 1.98 . . . . 0.0 112.586 177.054 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 606' ' ' ILE . . . . . 0.72 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -91.39 -40.94 12.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.564 -177.758 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 607' ' ' ILE . . . . . 0.644 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -66.89 -30.21 48.87 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 C-N-CA 123.027 0.531 . . . . 0.0 111.008 -178.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 4.3 p -68.85 -11.25 60.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.511 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -115.43 -3.94 20.38 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.3 176.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 610' ' ' LEU . . . . . 0.656 HD21 ' HB ' ' A' ' 562' ' ' ILE . 60.4 mt . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.676 -0.678 . . . . 0.0 111.001 -178.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 21.6 m . . . . . 0 N--CA 1.476 0.857 0 CA-C-O 120.712 0.292 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.561 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . -59.19 -41.96 89.74 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.997 -177.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . 0.58 ' HZ3' HG23 ' A' ' 585' ' ' THR . 2.3 tmtm? -56.87 -49.24 76.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.952 0.406 . . . . 0.0 109.954 178.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -63.97 -47.87 78.71 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.921 -176.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 541' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' ' 545' ' ' TYR . . . -64.71 -38.51 91.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.711 179.03 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.686 HD12 HD21 ' A' ' 581' ' ' LEU . 2.0 tm? -66.26 -47.78 72.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.011 -177.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . 0.756 ' HG3' HD13 ' A' ' 581' ' ' LEU . 15.2 tt0 -68.44 -42.28 79.07 Favored 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -178.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 22.5 t -61.84 -35.23 77.65 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.908 177.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . 0.461 ' OH ' ' HG2' ' A' ' 600' ' ' GLU . 4.0 t80 -64.21 -49.13 73.21 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.027 179.018 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -66.3 -40.4 89.99 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.173 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -59.11 -42.27 90.14 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.726 174.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -64.05 -48.36 76.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.065 -0.516 . . . . 0.0 112.035 -177.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 549' ' ' MET . . . . . 0.41 ' HG3' ' CD1' ' A' ' 599' ' ' LEU . 17.6 mmt -64.39 -43.26 95.0 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.528 0.68 . . . . 0.0 110.018 179.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . 0.643 ' HG3' HD23 ' A' ' 571' ' ' LEU . 2.7 ttmm -59.0 -44.04 91.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.841 -1.072 . . . . 0.0 111.176 176.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 8.3 t -65.97 -36.54 83.6 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.841 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -64.18 -46.31 84.54 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -176.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 553' ' ' VAL . . . . . 0.771 HG11 HG11 ' A' ' 570' ' ' VAL . 33.8 m -76.71 -31.91 20.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.677 0.751 . . . . 0.0 111.195 -178.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 554' ' ' GLU . . . . . 0.571 ' HB2' ' O ' ' A' ' 550' ' ' LYS . 0.7 OUTLIER -87.01 5.62 36.45 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.067 -0.969 . . . . 0.0 111.729 178.489 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 555' ' ' ASP . . . . . 0.442 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 27.8 t70 -72.8 137.04 45.54 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.979 176.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -70.02 -14.5 62.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.359 -176.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -99.72 -18.0 24.28 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.177 -1.011 . . . . 0.0 111.608 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.676 HD22 HD22 ' A' ' 610' ' ' LEU . 13.5 mt -100.61 -5.61 26.47 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.673 -0.264 . . . . 0.0 111.644 178.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -67.56 125.04 24.9 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 171.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 100.25 -23.78 34.58 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.227 -172.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . 0.564 ' HG3' ' HA ' ' A' ' 558' ' ' LEU . 33.8 mmtm -77.84 -43.69 29.58 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-O 121.535 0.683 . . . . 0.0 109.301 173.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . 0.746 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.3 tt -105.59 149.49 8.99 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 CA-C-N 114.845 -1.071 . . . . 0.0 109.728 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 22.1 m -78.6 150.66 32.67 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -54.61 -41.5 70.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.55 0.214 . . . . 0.0 111.358 -173.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -58.21 -42.91 87.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.589 -177.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 566' ' ' ASP . . . . . 0.498 ' HB3' ' HB ' ' A' ' 606' ' ' ILE . 20.9 m-20 -69.31 -46.57 66.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.083 0.468 . . . . 0.0 109.938 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.519 ' NZ ' ' HA ' ' A' ' 554' ' ' GLU . 29.3 tttp -54.26 -47.86 71.83 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.609 175.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -66.56 -47.68 72.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.752 -178.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 569' ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 0.0 OUTLIER -60.97 -44.3 97.53 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 110.297 -0.261 . . . . 0.0 110.297 -175.383 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 570' ' ' VAL . . . . . 0.771 HG11 HG11 ' A' ' 553' ' ' VAL . 12.1 p -70.42 -43.2 78.36 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.232 -179.036 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . 0.643 HD23 ' HG3' ' A' ' 550' ' ' LYS . 41.6 mt -59.76 -45.56 91.85 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.787 0.327 . . . . 0.0 110.486 177.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 572' ' ' ASP . . . . . 0.467 ' O ' ' HG3' ' A' ' 576' ' ' GLU . 21.4 t70 -61.94 -47.99 82.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.254 -179.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 573' ' ' LYS . . . . . 0.611 ' O ' HG12 ' A' ' 577' ' ' VAL . 44.7 tptt -64.4 -41.88 96.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.063 178.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 574' ' ' CYS . . . . . 0.445 ' SG ' HD21 ' A' ' 599' ' ' LEU . 91.4 m -61.15 -38.64 87.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.043 0.449 . . . . 0.0 110.004 177.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . 0.438 HE21 ' CA ' ' A' ' 575' ' ' GLN . 0.0 OUTLIER -65.02 -39.36 93.29 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.141 176.476 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 576' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 572' ' ' ASP . 49.9 mt-10 -58.65 -56.16 25.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.088 0.47 . . . . 0.0 110.279 177.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 577' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 573' ' ' LYS . 2.1 p -66.34 -39.7 84.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.731 -177.124 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 578' ' ' ILE . . . . . 0.913 ' HA ' HD12 ' A' ' 581' ' ' LEU . 13.2 mt -61.63 -41.89 92.07 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 CA-C-O 120.865 0.365 . . . . 0.0 110.898 177.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 26.6 t -65.45 -35.58 81.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.189 0.518 . . . . 0.0 109.934 175.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 580' ' ' TRP . . . . . 0.65 ' CZ2' ' HG3' ' A' ' 591' ' ' GLU . 46.5 t90 -68.67 -37.22 79.46 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.851 178.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 581' ' ' LEU . . . . . 0.913 HD12 ' HA ' ' A' ' 578' ' ' ILE . 14.7 mt -57.96 -46.59 84.88 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.79 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -68.84 -21.97 64.25 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.646 178.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -90.66 -31.77 16.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.081 -175.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -125.5 47.18 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.431 -177.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 585' ' ' THR . . . . . 0.58 HG23 ' HZ3' ' A' ' 539' ' ' LYS . 0.2 OUTLIER -61.74 -23.04 65.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.27 177.266 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . 0.406 ' H ' HD22 ' A' ' 586' ' ' LEU . 1.0 OUTLIER -90.18 5.52 46.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.77 -175.746 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . 0.501 ' HB1' ' HB3' ' A' ' 591' ' ' GLU . . . -60.54 157.54 14.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.062 179.004 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -77.07 171.02 15.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.103 175.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . 0.923 ' HD3' ' H ' ' A' ' 589' ' ' LYS . 0.0 OUTLIER -56.47 -46.43 80.41 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.363 -176.475 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 590' ' ' ASP . . . . . 0.459 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 5.4 p-10 -66.33 -23.6 66.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.939 -175.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . 0.65 ' HG3' ' CZ2' ' A' ' 580' ' ' TRP . 7.9 tp10 -65.2 -46.21 81.62 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 178.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 592' ' ' PHE . . . . . 0.561 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 94.0 m-85 -68.72 -40.38 79.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.138 177.005 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . 0.459 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 5.8 mm-40 -59.87 -44.97 93.87 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.877 -179.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -67.65 -39.88 84.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.505 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . 0.45 ' HE2' ' HB2' ' A' ' 595' ' ' LYS . 8.4 tppt? -62.87 -35.04 78.69 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.149 0.5 . . . . 0.0 109.96 178.023 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 596' ' ' ARG . . . . . 0.482 ' O ' ' HG3' ' A' ' 600' ' ' GLU . 4.2 ttp85 -60.6 -42.89 97.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.948 178.053 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . 0.546 ' O ' ' HG2' ' A' ' 601' ' ' GLN . 26.7 mmmt -62.52 -41.88 99.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.382 176.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -59.46 -51.37 70.16 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.714 0.769 . . . . 0.0 110.541 177.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.662 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.1 tm? -59.68 -41.56 90.98 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.633 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . 0.548 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 38.6 mt-10 -56.17 -46.75 79.22 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.027 176.008 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 601' ' ' GLN . . . . . 0.546 ' HG2' ' O ' ' A' ' 597' ' ' LYS . 24.6 mm-40 -61.48 -30.36 70.55 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -178.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . 0.662 HG12 ' O ' ' A' ' 599' ' ' LEU . 0.8 OUTLIER -76.39 -41.62 35.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 120.203 -0.599 . . . . 0.0 111.273 178.176 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 603' ' ' CYS . . . . . 0.64 ' HB2' HD13 ' A' ' 607' ' ' ILE . 24.5 p -82.84 -26.54 31.56 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 111.538 0.199 . . . . 0.0 111.538 -177.138 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 604' ' ' ASN . . . . . 0.605 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 21.0 t30 -49.48 -53.29 42.02 Favored Pre-proline 0 N--CA 1.472 0.659 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -177.037 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 605' ' ' PRO . . . . . 0.605 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 52.9 Cg_exo -59.87 -22.96 70.66 Favored 'Trans proline' 0 C--N 1.357 0.985 0 C-N-CA 122.257 1.972 . . . . 0.0 112.285 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 606' ' ' ILE . . . . . 0.746 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -91.76 -40.87 12.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.316 -178.218 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 607' ' ' ILE . . . . . 0.64 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -67.07 -32.25 57.02 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.932 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 3.7 p -70.42 -18.46 63.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.968 0.413 . . . . 0.0 110.743 177.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -97.48 -4.06 58.35 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 111.605 -0.598 . . . . 0.0 111.605 175.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 610' ' ' LEU . . . . . 0.676 HD22 HD22 ' A' ' 558' ' ' LEU . 68.3 mt . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.372 -0.823 . . . . 0.0 110.031 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . 0.46 ' HB3' ' CG ' ' A' ' 540' ' ' ASN . 41.3 t . . . . . 0 N--CA 1.478 0.933 0 CA-C-O 120.823 0.344 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.511 ' O ' ' HB2' ' A' ' 542' ' ' LEU . . . -69.13 -27.92 66.0 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.1 177.018 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . 0.418 ' HE3' HG22 ' A' ' 585' ' ' THR . 13.0 tmtt? -64.46 -47.19 79.94 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 174.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 540' ' ' ASN . . . . . 0.46 ' CG ' ' HB3' ' A' ' 537' ' ' SER . 13.9 m-20 -58.54 -47.94 82.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.724 177.32 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -61.65 -46.17 90.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 178.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.704 HD21 ' HB2' ' A' ' 596' ' ' ARG . 0.2 OUTLIER -61.7 -48.15 82.06 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.642 -176.841 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . 0.559 ' CB ' HD13 ' A' ' 581' ' ' LEU . 11.3 tt0 -68.69 -39.98 80.27 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.351 -176.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 23.6 m -64.76 -40.56 95.49 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.156 176.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . 0.526 ' O ' ' HG2' ' A' ' 549' ' ' MET . 2.4 t80 -61.59 -48.99 78.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.822 178.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.2 -43.25 92.18 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.423 179.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -58.62 -42.47 88.29 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.676 175.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -59.63 -49.87 76.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.391 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 549' ' ' MET . . . . . 0.526 ' HG2' ' O ' ' A' ' 545' ' ' TYR . 19.3 mmt -65.68 -44.02 87.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.228 0.537 . . . . 0.0 110.155 -178.457 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . 0.708 ' HG3' HD23 ' A' ' 571' ' ' LEU . 4.7 ttmm -60.15 -46.06 90.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.748 177.07 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 13.4 t -65.97 -37.01 84.88 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 178.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -65.59 -46.0 81.04 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -177.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 553' ' ' VAL . . . . . 0.77 HG11 HG11 ' A' ' 570' ' ' VAL . 34.4 m -75.84 -32.01 23.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.714 0.768 . . . . 0.0 111.096 -178.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 554' ' ' GLU . . . . . 0.61 ' HB2' ' O ' ' A' ' 550' ' ' LYS . 1.0 OUTLIER -89.2 4.71 47.73 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.954 178.525 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 555' ' ' ASP . . . . . 0.605 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 18.1 t70 -69.39 135.91 50.94 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.263 178.283 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -69.84 -10.09 57.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.256 -176.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -101.48 -32.03 5.31 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.68 -0.771 . . . . 0.0 111.364 176.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.738 ' HA ' ' HG3' ' A' ' 561' ' ' LYS . 15.7 mt -87.49 -3.5 59.0 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 179.024 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 21.1 pttp -69.06 130.21 42.11 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 174.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 95.88 -28.28 13.19 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.7 -0.762 . . . . 0.0 111.745 -173.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . 0.738 ' HG3' ' HA ' ' A' ' 558' ' ' LEU . 60.2 mmtt -69.57 -41.22 76.12 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 175.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . 0.656 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.6 tt -106.22 149.26 9.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.961 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 15.0 m -74.17 148.79 41.37 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.18 -40.14 70.35 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.628 -175.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -59.01 -43.48 91.56 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -178.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 566' ' ' ASP . . . . . 0.521 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 26.5 m-20 -68.63 -46.89 68.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.95 0.405 . . . . 0.0 109.922 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.462 ' NZ ' ' HA ' ' A' ' 554' ' ' GLU . 26.6 tttp -53.97 -48.02 70.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.661 175.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -65.07 -46.47 81.03 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.941 -178.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 569' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 0.0 OUTLIER -64.42 -44.94 89.62 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 121.145 -0.222 . . . . 0.0 110.458 -175.634 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 570' ' ' VAL . . . . . 0.77 HG11 HG11 ' A' ' 553' ' ' VAL . 12.0 p -70.43 -42.16 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.012 -177.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . 0.708 HD23 ' HG3' ' A' ' 550' ' ' LYS . 30.6 mt -57.39 -48.6 78.65 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.087 0.47 . . . . 0.0 110.23 177.104 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -61.55 -45.54 93.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.615 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 573' ' ' LYS . . . . . 0.611 ' CG ' HG11 ' A' ' 602' ' ' VAL . 49.1 tptt -65.48 -41.38 93.37 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.752 179.464 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 574' ' ' CYS . . . . . 0.533 ' SG ' HD21 ' A' ' 599' ' ' LEU . 68.7 m -59.3 -39.23 82.37 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.449 175.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -65.4 -36.69 84.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.934 176.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 576' ' ' GLU . . . . . 0.403 ' CD ' ' HZ2' ' A' ' 573' ' ' LYS . 0.7 OUTLIER -59.9 -56.35 22.77 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.973 0.416 . . . . 0.0 110.374 177.228 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 577' ' ' VAL . . . . . 0.655 HG21 HD12 ' A' ' 542' ' ' LEU . 1.4 p -66.27 -41.01 88.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.474 -178.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 578' ' ' ILE . . . . . 0.901 ' HA ' HD12 ' A' ' 581' ' ' LEU . 17.9 mt -60.91 -38.7 79.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.75 0.309 . . . . 0.0 111.02 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 29.1 t -68.46 -36.38 78.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.089 0.471 . . . . 0.0 110.201 174.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 82.9 t90 -69.64 -36.57 76.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.923 179.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 581' ' ' LEU . . . . . 0.901 HD12 ' HA ' ' A' ' 578' ' ' ILE . 48.7 mt -61.0 -47.21 87.53 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.914 178.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -68.7 -21.32 64.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.491 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -93.0 -31.35 14.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.781 -178.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . 0.421 ' HB3' ' HB2' ' A' ' 587' ' ' ALA . 13.5 m120 -122.5 58.89 1.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -178.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 585' ' ' THR . . . . . 0.418 HG22 ' HE3' ' A' ' 539' ' ' LYS . 40.0 p -72.93 -12.82 61.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.868 0.842 . . . . 0.0 109.298 174.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . 0.504 HD22 ' N ' ' A' ' 586' ' ' LEU . 1.9 mm? -93.94 0.02 55.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 114.335 -1.302 . . . . 0.0 110.432 -176.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . 0.421 ' HB2' ' HB3' ' A' ' 584' ' ' ASN . . . -66.71 153.34 43.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.733 -179.207 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -77.84 168.13 20.41 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.249 177.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -56.78 -46.15 81.68 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.912 0.387 . . . . 0.0 111.569 -174.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 590' ' ' ASP . . . . . 0.46 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 10.6 p-10 -67.39 -25.41 65.94 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.142 -177.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . 0.403 ' HB2' ' HB1' ' A' ' 587' ' ' ALA . 36.2 mm-40 -61.51 -47.03 87.46 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 174.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 592' ' ' PHE . . . . . 0.519 ' O ' HD21 ' A' ' 542' ' ' LEU . 98.5 m-85 -64.91 -44.93 87.94 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.03 176.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . 0.46 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 10.8 mm-40 -58.42 -38.07 76.67 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.803 0.335 . . . . 0.0 111.347 -176.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.68 -36.31 70.56 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 175.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . 0.474 ' HD3' ' HA ' ' A' ' 595' ' ' LYS . 14.1 tppt? -64.35 -37.22 86.75 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 121.105 0.479 . . . . 0.0 109.82 174.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 596' ' ' ARG . . . . . 0.704 ' HB2' HD21 ' A' ' 542' ' ' LEU . 39.0 ttp85 -59.46 -38.99 82.18 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.12 177.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . 0.637 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 59.8 mmtt -67.01 -39.77 87.15 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.726 177.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . 0.498 ' HB3' ' NZ ' ' A' ' 573' ' ' LYS . 39.3 mt-10 -60.21 -53.3 59.34 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.43 0.634 . . . . 0.0 110.475 175.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.697 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.1 tm? -61.71 -40.47 95.15 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.131 -0.941 . . . . 0.0 109.148 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . 0.465 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 31.8 tt0 -55.4 -46.39 76.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.828 177.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 601' ' ' GLN . . . . . 0.637 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 75.3 mt-30 -67.16 -29.99 69.84 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . 0.697 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.4 p -76.07 -40.55 37.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.76 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 603' ' ' CYS . . . . . 0.605 ' HB2' HD13 ' A' ' 607' ' ' ILE . 20.0 p -82.96 -26.37 31.42 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.375 -178.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 604' ' ' ASN . . . . . 0.618 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 40.0 t30 -49.51 -52.39 50.39 Favored Pre-proline 0 CA--C 1.541 0.621 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -176.596 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 605' ' ' PRO . . . . . 0.618 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 49.2 Cg_exo -60.63 -25.83 81.65 Favored 'Trans proline' 0 C--N 1.355 0.914 0 C-N-CA 122.323 2.015 . . . . 0.0 112.307 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 606' ' ' ILE . . . . . 0.656 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -89.58 -41.15 13.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.288 -177.289 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 607' ' ' ILE . . . . . 0.612 ' N ' HG12 ' A' ' 606' ' ' ILE . 1.2 mp -68.56 -33.6 60.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.843 -179.449 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 8.4 p -70.23 -9.87 57.19 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.842 0.354 . . . . 0.0 110.789 177.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -112.15 7.56 27.05 Favored Glycine 0 N--CA 1.45 -0.418 0 N-CA-C 111.505 -0.638 . . . . 0.0 111.505 175.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 610' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 606' ' ' ILE . 58.7 mt . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.503 -0.76 . . . . 0.0 110.194 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.476 0.853 0 CA-C-O 120.616 0.246 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.509 ' O ' ' HB2' ' A' ' 542' ' ' LEU . . . -61.34 -26.52 67.87 Favored 'General case' 0 C--O 1.225 -0.231 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.066 -179.027 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . 0.453 ' HE2' ' HB3' ' A' ' 581' ' ' LEU . 13.4 tmtt? -60.86 -41.12 95.26 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 179.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -68.05 -47.07 69.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.703 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -62.61 -39.84 95.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.735 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.509 ' HB2' ' O ' ' A' ' 538' ' ' ALA . 0.2 OUTLIER -66.73 -47.32 72.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.011 -177.257 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -62.66 -48.1 80.81 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.26 -45.8 83.68 Favored 'General case' 0 C--O 1.213 -0.827 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.506 177.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . 0.455 ' O ' ' HG2' ' A' ' 549' ' ' MET . 3.5 t80 -59.49 -47.27 86.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 110.086 -176.303 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.63 -41.51 92.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.284 178.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -58.94 -43.62 91.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.311 174.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -59.74 -49.36 78.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.312 -178.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 549' ' ' MET . . . . . 0.455 ' HG2' ' O ' ' A' ' 545' ' ' TYR . 19.5 mmt -66.07 -44.59 84.07 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 121.279 0.561 . . . . 0.0 110.212 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . 0.604 ' HG3' HD23 ' A' ' 571' ' ' LEU . 3.5 ttmm -57.87 -45.93 85.59 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.268 177.166 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 16.4 t -66.84 -36.14 81.66 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.88 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -62.73 -45.78 91.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.527 -177.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 553' ' ' VAL . . . . . 0.851 HG11 HG11 ' A' ' 570' ' ' VAL . 33.2 m -76.63 -35.68 26.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.431 0.634 . . . . 0.0 111.362 -178.223 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 554' ' ' GLU . . . . . 0.686 ' HG2' HD11 ' A' ' 571' ' ' LEU . 0.2 OUTLIER -85.6 4.43 36.25 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.811 179.47 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 555' ' ' ASP . . . . . 0.469 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 12.8 t70 -69.23 136.78 52.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.559 172.082 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 556' ' ' GLU . . . . . 0.883 ' HA ' ' HD2' ' A' ' 559' ' ' LYS . 63.7 mm-40 -69.79 -10.93 60.26 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -173.233 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -101.61 -37.23 3.54 Favored Glycine 0 N--CA 1.441 -0.995 0 C-N-CA 119.766 -1.207 . . . . 0.0 111.119 176.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.935 HD23 ' HD2' ' A' ' 561' ' ' LYS . 15.7 mt -80.48 -14.47 58.24 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.817 0.341 . . . . 0.0 111.232 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . 0.883 ' HD2' ' HA ' ' A' ' 556' ' ' GLU . 15.4 ptmt -64.61 -22.6 67.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 178.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . -98.19 3.83 60.24 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.631 175.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . 0.935 ' HD2' HD23 ' A' ' 558' ' ' LEU . 78.3 mttt -104.94 -29.09 10.7 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.333 0.587 . . . . 0.0 110.461 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . 0.852 ' HB ' HD21 ' A' ' 610' ' ' LEU . 5.5 tt -106.22 153.49 7.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.175 179.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . 0.427 ' HB3' ' OD2' ' A' ' 566' ' ' ASP . 42.0 t -76.68 146.69 37.93 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 175.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -56.03 -38.91 71.18 Favored 'General case' 0 CA--C 1.514 -0.42 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.978 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -58.99 -43.03 91.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.024 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 566' ' ' ASP . . . . . 0.573 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 20.7 m-20 -70.47 -46.94 62.81 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 179.107 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.639 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 83.8 tttt -54.66 -48.8 71.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.005 177.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -62.6 -47.17 84.98 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.294 -179.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 569' ' ' LYS . . . . . 0.573 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 19.1 pttt -66.29 -43.44 86.36 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.607 -173.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 570' ' ' VAL . . . . . 0.851 HG11 HG11 ' A' ' 553' ' ' VAL . 12.6 p -70.07 -40.48 78.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.883 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . 0.686 HD11 ' HG2' ' A' ' 554' ' ' GLU . 31.7 mt -60.14 -46.11 90.76 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.652 0.263 . . . . 0.0 110.688 177.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -64.64 -45.44 86.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.203 0.525 . . . . 0.0 109.777 -179.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 573' ' ' LYS . . . . . 0.601 ' O ' HG12 ' A' ' 577' ' ' VAL . 51.2 tptt -62.09 -41.01 97.75 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.854 177.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 574' ' ' CYS . . . . . 0.447 ' SG ' HD21 ' A' ' 599' ' ' LEU . 98.1 m -63.52 -39.56 94.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.704 177.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -63.47 -39.09 93.53 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.532 174.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 576' ' ' GLU . . . . . 0.425 ' HB3' ' O ' ' A' ' 573' ' ' LYS . 3.4 tt0 -58.87 -55.62 32.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.789 178.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 577' ' ' VAL . . . . . 0.601 HG12 ' O ' ' A' ' 573' ' ' LYS . 1.5 p -66.11 -41.48 89.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.45 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 578' ' ' ILE . . . . . 0.93 ' HA ' HD12 ' A' ' 581' ' ' LEU . 15.8 mt -61.07 -39.46 82.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.534 0.207 . . . . 0.0 111.415 -179.052 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 16.9 t -70.16 -34.82 73.49 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 175.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 82.7 t90 -67.09 -35.53 80.0 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.694 179.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 581' ' ' LEU . . . . . 0.93 HD12 ' HA ' ' A' ' 578' ' ' ILE . 31.6 mt -63.74 -48.1 78.39 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.333 178.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -68.86 -27.11 65.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.572 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -86.6 -32.21 20.75 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.858 -176.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -113.86 58.97 0.67 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.132 0.492 . . . . 0.0 111.009 -177.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 69.4 p -73.73 -12.44 60.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.943 0.878 . . . . 0.0 109.181 174.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . 0.502 HD22 ' N ' ' A' ' 586' ' ' LEU . 2.0 mm? -90.16 5.07 48.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.432 -1.258 . . . . 0.0 110.238 -179.278 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . 0.468 ' HB1' ' HB2' ' A' ' 591' ' ' GLU . . . -74.51 161.54 29.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.766 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -90.07 167.83 12.45 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 175.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -60.28 -39.19 86.02 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.682 0.753 . . . . 0.0 109.801 -175.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 590' ' ' ASP . . . . . 0.413 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 4.8 m-20 -61.78 -30.65 70.94 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.503 -1.226 . . . . 0.0 111.896 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . 0.468 ' HB2' ' HB1' ' A' ' 587' ' ' ALA . 12.1 mm-40 -63.83 -42.97 97.52 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.438 0.637 . . . . 0.0 109.314 178.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -66.15 -41.12 90.85 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.549 175.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . 0.444 ' HA ' ' OE1' ' A' ' 593' ' ' GLU . 5.0 mm-40 -59.51 -38.84 81.98 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.647 -179.14 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . 0.467 ' O ' ' HG3' ' A' ' 598' ' ' GLU . 29.1 m170 -68.53 -42.7 78.11 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 176.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . 0.435 ' HG2' HG23 ' A' ' 577' ' ' VAL . 11.4 tppt? -64.13 -35.53 81.08 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.212 179.288 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 596' ' ' ARG . . . . . 0.459 ' HB2' HD21 ' A' ' 542' ' ' LEU . 12.7 ttp85 -60.14 -37.23 79.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.407 176.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . 0.563 ' O ' ' HG2' ' A' ' 601' ' ' GLN . 43.8 mmtm -66.53 -46.36 76.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.385 173.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 594' ' ' HIS . 53.1 mt-10 -59.41 -55.82 29.79 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.555 0.693 . . . . 0.0 111.332 -177.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.705 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.6 tm? -59.07 -40.77 86.21 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.515 -179.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . 0.629 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 36.5 tt0 -59.79 -41.76 91.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.777 177.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 601' ' ' GLN . . . . . 0.563 ' HG2' ' O ' ' A' ' 597' ' ' LYS . 26.4 mm-40 -62.98 -30.94 71.98 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 179.144 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . 0.705 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.4 p -75.42 -40.4 42.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.928 178.163 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 603' ' ' CYS . . . . . 0.629 ' SG ' ' HA ' ' A' ' 600' ' ' GLU . 24.1 p -82.96 -27.08 30.75 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 111.761 0.282 . . . . 0.0 111.761 -177.522 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 604' ' ' ASN . . . . . 0.612 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 20.9 t30 -49.58 -54.02 35.16 Favored Pre-proline 0 N--CA 1.471 0.622 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -176.249 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 605' ' ' PRO . . . . . 0.612 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 47.3 Cg_exo -60.7 -24.22 78.13 Favored 'Trans proline' 0 C--N 1.356 0.93 0 C-N-CA 122.056 1.837 . . . . 0.0 112.324 179.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 606' ' ' ILE . . . . . 0.717 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -87.67 -40.83 14.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.888 -179.509 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 607' ' ' ILE . . . . . 0.625 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.4 mp -66.02 -27.72 41.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.673 177.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 33.4 t -65.03 -13.06 56.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.681 176.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -120.84 5.88 11.34 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.082 176.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 610' ' ' LEU . . . . . 0.852 HD21 ' HB ' ' A' ' 562' ' ' ILE . 68.4 mt . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.551 -179.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 35.6 m . . . . . 0 N--CA 1.476 0.867 0 CA-C-O 120.601 0.238 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . . . . . . . . . . . -61.54 -17.28 54.15 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.378 -177.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . 0.621 ' HG2' HD22 ' A' ' 581' ' ' LEU . 10.0 tmtt? -66.99 -39.79 87.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.757 0.313 . . . . 0.0 110.741 -177.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -64.42 -45.78 86.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.192 178.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 541' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' ' 545' ' ' TYR . . . -59.97 -45.25 93.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.626 176.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.687 HD21 ' HB2' ' A' ' 596' ' ' ARG . 0.2 OUTLIER -66.87 -48.45 68.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.847 -175.237 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . 0.586 ' CB ' HD13 ' A' ' 581' ' ' LEU . 17.5 tt0 -68.67 -41.04 79.81 Favored 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 -176.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 36.0 m -65.83 -35.49 80.81 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.241 176.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . 0.463 ' OH ' ' HG2' ' A' ' 600' ' ' GLU . 3.2 t80 -62.62 -49.44 75.18 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 177.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -66.18 -42.0 89.48 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.568 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -57.54 -41.85 81.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.428 174.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 51.3 m-20 -60.45 -50.16 74.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.914 -179.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 549' ' ' MET . . . . . 0.425 ' HG2' ' O ' ' A' ' 545' ' ' TYR . 18.2 mmt -66.94 -43.18 83.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.339 0.59 . . . . 0.0 110.016 -178.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . 0.564 ' HG3' HD23 ' A' ' 571' ' ' LEU . 3.4 ttmm -58.84 -48.55 80.93 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.285 176.41 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 5.3 t -65.85 -35.51 80.88 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.514 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -64.24 -45.94 85.97 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.987 0.365 . . . . 0.0 111.987 -178.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 553' ' ' VAL . . . . . 0.745 HG11 HG11 ' A' ' 570' ' ' VAL . 33.8 m -76.71 -32.83 21.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.391 0.615 . . . . 0.0 111.286 -179.261 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 554' ' ' GLU . . . . . 0.576 ' HG2' HD11 ' A' ' 571' ' ' LEU . 1.2 mm-40 -89.36 4.48 48.81 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.766 178.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 555' ' ' ASP . . . . . 0.626 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 18.1 t70 -65.12 137.58 57.75 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.557 177.137 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -71.62 -13.06 61.65 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.29 -177.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -101.98 -23.36 9.26 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 119.94 -1.124 . . . . 0.0 111.602 178.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.626 ' HB2' ' HB3' ' A' ' 555' ' ' ASP . 13.8 mt -93.06 -2.73 55.29 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.781 0.324 . . . . 0.0 111.279 177.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -68.67 120.8 15.23 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 174.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 109.25 -33.65 6.0 Favored Glycine 0 N--CA 1.448 -0.52 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 -172.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . 0.494 ' HG3' HD23 ' A' ' 558' ' ' LEU . 27.4 mmtt -65.87 -45.9 80.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.323 0.582 . . . . 0.0 110.851 176.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . 0.699 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.3 tt -105.66 147.37 11.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.355 -0.838 . . . . 0.0 110.157 -176.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . 0.417 ' HB3' ' OD2' ' A' ' 566' ' ' ASP . 33.0 t -72.61 147.95 45.33 Favored 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 176.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -61.35 -31.37 71.25 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.58 -175.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -61.94 -43.62 98.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 123.211 0.319 . . . . 0.0 111.018 177.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 566' ' ' ASP . . . . . 0.44 ' HB3' ' HB ' ' A' ' 606' ' ' ILE . 13.4 m-20 -68.01 -46.52 71.0 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.53 0.681 . . . . 0.0 109.28 178.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . . . . . . . . . 26.2 tttp -54.24 -48.72 70.8 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.624 -1.171 . . . . 0.0 111.161 175.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -63.3 -47.77 80.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.523 -178.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 569' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 17.8 ptmt -63.79 -44.57 92.95 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.208 -174.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 570' ' ' VAL . . . . . 0.745 HG11 HG11 ' A' ' 553' ' ' VAL . 11.1 p -70.5 -41.36 78.1 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.284 -179.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . 0.576 HD11 ' HG2' ' A' ' 554' ' ' GLU . 36.1 mt -60.29 -46.18 90.77 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.971 0.415 . . . . 0.0 110.353 177.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -60.29 -47.52 85.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.711 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 573' ' ' LYS . . . . . 0.6 ' CG ' HG11 ' A' ' 602' ' ' VAL . 50.1 tptt -66.21 -39.54 89.69 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.063 179.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 574' ' ' CYS . . . . . 0.441 ' SG ' HD21 ' A' ' 599' ' ' LEU . 97.9 m -62.23 -37.85 86.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.164 0.507 . . . . 0.0 110.09 176.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -65.79 -36.58 83.93 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.275 175.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -59.0 -56.07 27.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.586 176.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 577' ' ' VAL . . . . . 0.614 HG21 HD12 ' A' ' 542' ' ' LEU . 1.0 OUTLIER -65.05 -43.45 95.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.309 -179.284 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 578' ' ' ILE . . . . . 0.917 ' HA ' HD12 ' A' ' 581' ' ' LEU . 20.9 mt -61.35 -38.23 79.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -179.071 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 31.3 t -70.77 -33.51 70.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.171 0.51 . . . . 0.0 109.886 176.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 79.2 t90 -69.7 -38.55 76.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.654 178.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 581' ' ' LEU . . . . . 0.917 HD12 ' HA ' ' A' ' 578' ' ' ILE . 34.6 mt -60.93 -42.65 98.58 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.895 177.356 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -66.98 -30.85 71.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.155 -0.929 . . . . 0.0 110.327 178.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -84.38 -31.84 24.51 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.48 -177.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . 0.777 ' HB3' ' HB2' ' A' ' 587' ' ' ALA . 86.6 m-20 -124.1 55.18 1.3 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.473 -178.377 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -66.58 -19.15 65.71 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.833 178.254 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . 0.454 HD22 ' N ' ' A' ' 586' ' ' LEU . 1.5 mm? -104.53 7.22 35.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.192 -175.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . 0.777 ' HB2' ' HB3' ' A' ' 584' ' ' ASN . . . -57.02 158.38 5.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.666 -179.109 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -80.03 163.32 24.29 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.615 177.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -56.7 -45.84 81.58 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -170.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 590' ' ' ASP . . . . . 0.601 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 3.6 p30 -63.17 -27.03 69.09 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -178.078 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -61.48 -48.4 81.26 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 175.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 592' ' ' PHE . . . . . 0.442 ' CZ ' ' HB3' ' A' ' 587' ' ' ALA . 92.9 m-85 -66.88 -42.92 84.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.069 176.177 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . 0.601 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 10.0 mm-40 -59.69 -40.61 88.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.846 -176.349 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 27.9 m80 -67.38 -39.59 85.66 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.846 0.355 . . . . 0.0 110.345 175.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . 0.594 ' HA ' ' HE3' ' A' ' 595' ' ' LYS . 0.3 OUTLIER -62.55 -37.33 85.7 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.251 177.301 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 596' ' ' ARG . . . . . 0.687 ' HB2' HD21 ' A' ' 542' ' ' LEU . 31.0 ttp85 -60.01 -47.42 85.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.951 178.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . 0.587 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 25.6 mmmt -58.3 -44.62 88.65 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.756 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.28 -50.87 71.94 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.379 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.644 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.3 tm? -59.5 -41.7 90.46 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.72 -178.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . 0.662 ' HG3' ' O ' ' A' ' 596' ' ' ARG . 50.5 mt-10 -59.4 -38.74 81.33 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.012 177.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 601' ' ' GLN . . . . . 0.587 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 74.0 mt-30 -63.86 -37.24 86.66 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.625 0.232 . . . . 0.0 111.625 178.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . 0.644 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.7 p -73.92 -39.26 51.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.633 -0.427 . . . . 0.0 111.16 -177.182 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 603' ' ' CYS . . . . . 0.653 ' HB2' HD13 ' A' ' 607' ' ' ILE . 21.6 p -83.18 -25.96 31.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.599 -178.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 604' ' ' ASN . . . . . 0.617 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 17.2 t30 -49.19 -54.73 26.35 Favored Pre-proline 0 N--CA 1.475 0.796 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 -176.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 605' ' ' PRO . . . . . 0.617 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 50.9 Cg_exo -58.95 -25.65 78.22 Favored 'Trans proline' 0 C--N 1.358 1.039 0 C-N-CA 122.152 1.901 . . . . 0.0 112.488 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 606' ' ' ILE . . . . . 0.699 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -89.42 -41.05 13.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.217 -177.444 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 607' ' ' ILE . . . . . 0.653 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.2 mp -68.38 -30.58 48.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 C-N-CA 123.131 0.572 . . . . 0.0 111.394 -177.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 4.6 t -64.54 -22.24 66.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.608 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -114.68 22.76 12.65 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.196 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 610' ' ' LEU . . . . . 0.558 HD21 ' HB ' ' A' ' 562' ' ' ILE . 33.9 mt . . . . . 0 C--O 1.251 1.155 0 CA-C-O 118.417 -0.802 . . . . 0.0 110.641 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 43.0 p . . . . . 0 N--CA 1.477 0.898 0 N-CA-C 110.605 -0.146 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . . . . . . . . . . . -59.86 -31.3 69.64 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.937 0.398 . . . . 0.0 110.108 176.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . 0.674 ' NZ ' ' HB3' ' A' ' 581' ' ' LEU . 3.3 tmtm? -56.53 -47.8 78.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.377 174.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -63.68 -47.03 82.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.829 -178.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 541' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' A' ' 545' ' ' TYR . . . -58.68 -42.26 88.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.763 178.317 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.766 HD12 HG21 ' A' ' 577' ' ' VAL . 0.5 OUTLIER -65.52 -47.09 77.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.052 -177.305 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . 0.829 ' HG3' HD13 ' A' ' 581' ' ' LEU . 5.2 tt0 -65.48 -47.43 76.1 Favored 'General case' 0 N--CA 1.442 -0.867 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.204 -177.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 21.0 t -57.24 -43.7 83.18 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.723 176.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . 0.499 ' CD1' HD12 ' A' ' 599' ' ' LEU . 3.2 t80 -62.96 -48.6 78.17 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.15 0.5 . . . . 0.0 109.861 -177.248 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -64.85 -42.44 94.89 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.296 179.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.85 -42.1 83.77 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.433 174.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -59.76 -50.27 74.48 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.559 -178.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 549' ' ' MET . . . . . 0.462 ' HG3' ' CD1' ' A' ' 599' ' ' LEU . 22.3 mmt -67.14 -43.55 82.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.299 0.571 . . . . 0.0 110.506 -179.231 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . 0.643 ' HG3' HD23 ' A' ' 571' ' ' LEU . 4.7 ttmm -58.76 -47.42 84.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.815 177.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 7.6 t -66.34 -35.75 81.14 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.006 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -63.67 -46.3 86.21 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -177.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 553' ' ' VAL . . . . . 0.8 HG11 HG11 ' A' ' 570' ' ' VAL . 32.8 m -76.25 -31.81 21.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.639 0.733 . . . . 0.0 111.237 -178.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 554' ' ' GLU . . . . . 0.567 ' HG2' HD11 ' A' ' 571' ' ' LEU . 1.3 mm-40 -89.23 3.9 50.45 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.701 178.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 555' ' ' ASP . . . . . 0.53 ' O ' ' HG2' ' A' ' 559' ' ' LYS . 34.1 t70 -67.15 140.17 57.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.052 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 556' ' ' GLU . . . . . 0.447 ' HA ' ' HD3' ' A' ' 559' ' ' LYS . 5.4 pt-20 -69.48 -11.78 61.11 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.305 -0.861 . . . . 0.0 112.555 -175.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -101.79 -19.75 14.62 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.153 177.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.504 HD23 ' HG3' ' A' ' 561' ' ' LYS . 12.7 mt -101.87 5.09 40.83 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -177.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' A' ' 555' ' ' ASP . 12.3 mmmt -48.4 -46.91 37.88 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 123.452 0.701 . . . . 0.0 112.835 -172.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . -102.23 -2.93 51.24 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.228 -178.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . 0.504 ' HG3' HD23 ' A' ' 558' ' ' LEU . 58.6 mmtt -69.75 -37.79 76.57 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.939 0.4 . . . . 0.0 111.114 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . 0.773 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.9 tt -106.26 155.52 7.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.168 -179.282 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . 0.471 ' HB2' ' OD2' ' A' ' 566' ' ' ASP . 4.8 m -74.24 149.79 40.62 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 178.056 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -56.57 -43.01 79.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.767 0.318 . . . . 0.0 110.435 -178.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -59.78 -43.7 94.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.776 -177.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 566' ' ' ASP . . . . . 0.648 ' HB3' ' HB ' ' A' ' 606' ' ' ILE . 22.4 m-20 -66.84 -47.13 72.92 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-O 121.197 0.522 . . . . 0.0 109.84 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.435 ' NZ ' ' HA ' ' A' ' 554' ' ' GLU . 30.0 tttp -54.43 -48.56 71.52 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.97 -1.013 . . . . 0.0 111.118 175.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -65.02 -46.71 80.2 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.581 -177.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 569' ' ' LYS . . . . . 0.526 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 0.0 OUTLIER -63.35 -44.21 95.48 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.343 -174.38 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 570' ' ' VAL . . . . . 0.8 HG11 HG11 ' A' ' 553' ' ' VAL . 11.5 p -70.48 -43.52 77.9 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.055 -178.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . 0.643 HD23 ' HG3' ' A' ' 550' ' ' LYS . 35.7 mt -57.36 -48.19 79.65 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.741 0.305 . . . . 0.0 110.633 178.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -66.03 -40.77 91.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.339 -176.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 573' ' ' LYS . . . . . 0.603 ' CG ' HG11 ' A' ' 602' ' ' VAL . 47.4 tptt -68.65 -38.71 80.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.8 177.239 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 574' ' ' CYS . . . . . 0.509 ' SG ' HD21 ' A' ' 599' ' ' LEU . 66.0 m -61.33 -40.14 93.12 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.043 0.449 . . . . 0.0 110.068 176.215 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -67.31 -35.73 80.03 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.232 175.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 576' ' ' GLU . . . . . 0.414 ' HB3' ' O ' ' A' ' 573' ' ' LYS . 0.1 OUTLIER -58.2 -55.02 40.36 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.302 176.712 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 577' ' ' VAL . . . . . 0.766 HG21 HD12 ' A' ' 542' ' ' LEU . 1.2 p -66.38 -40.12 85.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.275 179.08 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 578' ' ' ILE . . . . . 0.975 ' HA ' HD12 ' A' ' 581' ' ' LEU . 23.0 mt -61.82 -40.8 88.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.678 0.275 . . . . 0.0 111.293 179.148 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 32.6 t -71.73 -32.28 67.59 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.932 0.396 . . . . 0.0 110.225 175.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 56.5 t90 -67.57 -37.86 83.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.428 0.632 . . . . 0.0 109.385 177.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 581' ' ' LEU . . . . . 0.975 HD12 ' HA ' ' A' ' 578' ' ' ILE . 17.7 mt -60.53 -46.4 90.32 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.722 176.071 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -62.76 -31.23 72.15 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.895 -1.048 . . . . 0.0 110.476 178.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -85.8 -31.32 22.39 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.968 -1.014 . . . . 0.0 111.997 -175.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -128.47 65.75 1.4 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.518 -174.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 25.5 p -77.47 -12.22 59.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.967 0.889 . . . . 0.0 109.074 171.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . 0.547 HD22 ' N ' ' A' ' 586' ' ' LEU . 1.9 mm? -87.06 -4.71 59.18 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 114.011 -1.45 . . . . 0.0 110.087 -178.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . 0.429 ' HB1' ' HB2' ' A' ' 591' ' ' GLU . . . -66.43 154.68 39.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.859 -178.544 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -87.58 169.01 12.54 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.291 175.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -55.71 -43.37 76.45 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -171.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 590' ' ' ASP . . . . . 0.718 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 15.1 t70 -62.99 -28.23 69.95 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -176.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . 0.429 ' HB2' ' HB1' ' A' ' 587' ' ' ALA . 10.1 mm-40 -61.3 -44.79 96.62 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.36 0.6 . . . . 0.0 109.462 174.113 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 592' ' ' PHE . . . . . 0.547 ' O ' HD21 ' A' ' 542' ' ' LEU . 77.3 m-85 -70.42 -41.16 73.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.733 176.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . 0.718 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 34.6 mm-40 -58.48 -44.94 89.52 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.32 -177.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 10.3 m80 -69.34 -36.28 76.76 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.831 176.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . 0.441 ' HD3' ' HA ' ' A' ' 595' ' ' LYS . 6.3 tppt? -64.41 -36.58 84.61 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.148 0.499 . . . . 0.0 110.224 177.288 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 596' ' ' ARG . . . . . 0.733 ' HB2' HD21 ' A' ' 542' ' ' LEU . 54.3 ttp85 -60.69 -38.61 85.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.369 176.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . 0.666 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 71.7 mmtt -67.4 -45.06 77.27 Favored 'General case' 0 C--O 1.225 -0.209 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.655 176.183 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -59.47 -52.07 67.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.426 0.632 . . . . 0.0 111.128 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.684 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.4 tm? -60.36 -39.76 88.32 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.584 -179.4 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . 0.592 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 39.6 tt0 -60.56 -39.04 86.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.18 177.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 601' ' ' GLN . . . . . 0.666 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 69.2 mt-30 -68.8 -32.2 71.75 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 179.258 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . 0.684 HG12 ' O ' ' A' ' 599' ' ' LEU . 2.5 p -75.48 -37.32 37.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.261 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 603' ' ' CYS . . . . . 0.659 ' HB2' HD13 ' A' ' 607' ' ' ILE . 27.4 p -83.08 -26.37 31.15 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.64 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 604' ' ' ASN . . . . . 0.625 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 26.2 t30 -49.9 -53.05 46.61 Favored Pre-proline 0 N--CA 1.474 0.741 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 -175.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 605' ' ' PRO . . . . . 0.625 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 51.5 Cg_exo -58.98 -27.11 83.97 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 122.206 1.938 . . . . 0.0 112.074 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 606' ' ' ILE . . . . . 0.773 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -87.33 -41.58 14.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.315 -177.857 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 607' ' ' ILE . . . . . 0.659 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -67.24 -34.36 68.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 C-N-CA 122.975 0.51 . . . . 0.0 111.005 -178.455 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 7.9 p -69.46 -17.54 63.64 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.88 0.372 . . . . 0.0 110.99 178.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -106.31 13.23 43.96 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.027 -0.606 . . . . 0.0 111.768 176.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 610' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 606' ' ' ILE . 36.6 mt . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.533 -0.746 . . . . 0.0 110.452 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 28.4 m . . . . . 0 N--CA 1.478 0.959 0 CA-C-O 120.482 0.182 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.561 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . -65.31 -35.36 80.77 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.348 179.294 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . 0.574 ' HG2' HD22 ' A' ' 581' ' ' LEU . 11.5 tmtt? -68.53 -42.52 78.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.587 0.708 . . . . 0.0 109.648 178.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -58.18 -47.47 83.3 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.648 -1.16 . . . . 0.0 110.191 178.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -66.03 -43.54 87.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.668 178.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.687 HD21 ' HB2' ' A' ' 596' ' ' ARG . 0.4 OUTLIER -60.37 -46.86 88.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.502 -178.21 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . 0.479 ' HG3' HD13 ' A' ' 581' ' ' LEU . 3.2 tt0 -64.4 -48.95 73.46 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.52 -177.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 544' ' ' SER . . . . . 0.578 ' O ' ' HB2' ' A' ' 548' ' ' ASN . 12.5 m -61.79 -33.74 74.65 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.485 178.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . 0.564 ' CD1' HD12 ' A' ' 599' ' ' LEU . 2.2 t80 -67.02 -50.15 63.02 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -66.1 -44.65 83.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.725 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -56.98 -38.59 73.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.275 175.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 548' ' ' ASN . . . . . 0.578 ' HB2' ' O ' ' A' ' 544' ' ' SER . 20.8 t-20 -66.52 -50.1 64.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.946 -177.005 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 549' ' ' MET . . . . . 0.449 ' HG2' ' O ' ' A' ' 545' ' ' TYR . 22.4 mmt -63.62 -41.67 98.27 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 121.419 0.628 . . . . 0.0 110.037 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . 0.606 ' HG3' HD23 ' A' ' 571' ' ' LEU . 4.8 ttmm -61.06 -43.93 98.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.896 177.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 73.7 m -66.54 -36.94 83.92 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 177.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -67.17 -46.29 74.45 Favored 'General case' 0 C--O 1.225 -0.231 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -175.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 553' ' ' VAL . . . . . 0.841 HG11 HG11 ' A' ' 570' ' ' VAL . 34.8 m -74.58 -35.33 37.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.493 0.663 . . . . 0.0 110.833 -178.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 554' ' ' GLU . . . . . 0.591 ' HB2' ' O ' ' A' ' 550' ' ' LYS . 2.0 mm-40 -83.67 3.53 32.56 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.362 -179.645 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 555' ' ' ASP . . . . . 0.602 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 26.5 t70 -67.0 137.09 56.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.969 174.176 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -10.82 59.73 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 -174.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -101.64 -42.41 2.32 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.272 -0.966 . . . . 0.0 111.063 174.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.913 HD23 ' HD3' ' A' ' 561' ' ' LYS . 10.6 mt -75.0 -12.41 60.32 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -67.79 -11.49 58.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.879 0.371 . . . . 0.0 110.422 175.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . -101.2 -3.84 53.94 Favored Glycine 0 N--CA 1.448 -0.503 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.885 175.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . 0.913 ' HD3' HD23 ' A' ' 558' ' ' LEU . 5.2 mptt -100.26 -32.25 10.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.983 0.42 . . . . 0.0 110.703 178.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . 0.829 ' HB ' HD21 ' A' ' 610' ' ' LEU . 5.2 tt -106.07 152.54 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.508 -178.649 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 7.3 m -81.87 157.52 24.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.566 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -54.21 -49.27 69.79 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 120.944 0.402 . . . . 0.0 111.042 -177.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -57.41 -43.29 83.62 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.071 -175.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 566' ' ' ASP . . . . . 0.629 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 21.6 m-20 -69.15 -48.24 62.87 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-O 121.213 0.53 . . . . 0.0 110.173 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.635 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 84.3 tttt -54.32 -48.1 71.75 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.905 176.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -66.65 -44.02 83.02 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.678 -178.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 569' ' ' LYS . . . . . 0.629 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 18.5 ptmt -65.32 -43.03 92.28 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 -174.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 570' ' ' VAL . . . . . 0.841 HG11 HG11 ' A' ' 553' ' ' VAL . 12.7 p -70.41 -40.61 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.832 -179.314 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . 0.606 HD23 ' HG3' ' A' ' 550' ' ' LYS . 33.0 mt -60.11 -49.09 79.03 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.809 0.338 . . . . 0.0 110.723 177.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -63.04 -44.7 95.17 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.935 -179.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 573' ' ' LYS . . . . . 0.6 ' HG2' HG11 ' A' ' 602' ' ' VAL . 50.0 tptt -62.48 -43.01 99.86 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.975 177.178 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 574' ' ' CYS . . . . . 0.427 ' SG ' HD21 ' A' ' 599' ' ' LEU . 61.9 m -58.39 -38.95 78.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.973 0.416 . . . . 0.0 110.831 175.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.01 -36.45 83.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.841 176.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 576' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -59.52 -56.51 21.09 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.871 0.367 . . . . 0.0 110.68 177.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 577' ' ' VAL . . . . . 0.671 HG21 HD12 ' A' ' 542' ' ' LEU . 0.7 OUTLIER -61.84 -45.73 98.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.093 -179.617 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 578' ' ' ILE . . . . . 0.973 ' HA ' HD12 ' A' ' 581' ' ' LEU . 27.6 mt -60.35 -41.24 86.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.693 0.282 . . . . 0.0 111.216 -178.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 47.4 t -65.35 -34.91 79.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.1 0.476 . . . . 0.0 110.554 176.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 86.5 t90 -74.15 -36.06 64.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.078 -178.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 581' ' ' LEU . . . . . 0.973 HD12 ' HA ' ' A' ' 578' ' ' ILE . 36.7 mt -59.26 -45.28 91.63 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.984 178.442 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -71.23 -25.8 62.65 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.793 179.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -87.13 -32.09 20.06 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.045 -176.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -123.54 48.4 1.86 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.08 0.467 . . . . 0.0 110.157 -179.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.76 -24.16 65.52 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.631 178.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -92.65 6.01 48.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.74 -175.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . 0.446 ' HB3' ' CE2' ' A' ' 592' ' ' PHE . . . -63.39 158.19 21.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.138 0.494 . . . . 0.0 110.364 176.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -84.33 171.51 12.61 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.654 176.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . 0.601 ' HG3' ' N ' ' A' ' 590' ' ' ASP . 28.5 pttt -56.8 -44.14 81.62 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.154 0.284 . . . . 0.0 111.238 -170.148 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 590' ' ' ASP . . . . . 0.601 ' N ' ' HG3' ' A' ' 589' ' ' LYS . 13.9 m-20 -63.73 -27.57 69.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.991 -0.549 . . . . 0.0 112.136 -173.192 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -65.57 -43.98 88.12 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 177.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 592' ' ' PHE . . . . . 0.561 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 83.7 m-85 -73.03 -37.56 66.85 Favored 'General case' 0 C--O 1.216 -0.675 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.187 176.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . 0.543 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 6.2 mm-40 -59.45 -38.16 80.04 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.976 0.417 . . . . 0.0 111.108 -178.299 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -72.25 -39.52 68.36 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.445 174.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . 0.618 ' HG2' HG23 ' A' ' 577' ' ' VAL . 0.4 OUTLIER -59.19 -36.8 76.01 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 121.128 0.49 . . . . 0.0 109.689 175.404 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 596' ' ' ARG . . . . . 0.687 ' HB2' HD21 ' A' ' 542' ' ' LEU . 18.4 ttp85 -61.07 -45.61 94.05 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.131 -0.94 . . . . 0.0 109.522 177.612 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . 0.555 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 45.5 mmtt -66.35 -39.52 89.23 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.38 177.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . 0.553 ' HB3' ' NZ ' ' A' ' 573' ' ' LYS . 32.0 mm-40 -59.64 -51.81 68.23 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.232 0.539 . . . . 0.0 110.903 177.374 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.712 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.3 tm? -66.29 -41.68 89.45 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.525 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . 0.503 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 30.8 tt0 -55.59 -48.65 74.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.444 178.139 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 601' ' ' GLN . . . . . 0.555 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 82.0 mt-30 -69.85 -22.43 63.27 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -177.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . 0.712 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.1 p -75.54 -41.45 41.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.327 174.419 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 603' ' ' CYS . . . . . 0.606 ' HB2' HD13 ' A' ' 607' ' ' ILE . 14.6 p -82.68 -27.17 31.45 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.653 -177.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 604' ' ' ASN . . . . . 0.62 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 43.8 t30 -50.46 -51.72 61.76 Favored Pre-proline 0 N--CA 1.47 0.568 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -175.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 605' ' ' PRO . . . . . 0.62 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 53.2 Cg_exo -60.29 -30.54 91.32 Favored 'Trans proline' 0 C--N 1.355 0.897 0 C-N-CA 122.161 1.908 . . . . 0.0 112.032 179.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 606' ' ' ILE . . . . . 0.707 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -82.06 -40.51 17.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.288 -0.869 . . . . 0.0 109.907 -178.74 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 607' ' ' ILE . . . . . 0.606 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.3 mp -66.76 -32.09 56.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.396 178.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 23.0 t -66.25 -17.8 64.96 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.237 177.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -107.67 2.89 34.18 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 121.139 -0.553 . . . . 0.0 112.137 177.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 610' ' ' LEU . . . . . 0.829 HD21 ' HB ' ' A' ' 562' ' ' ILE . 66.0 mt . . . . . 0 C--O 1.247 0.926 0 CA-C-O 119.023 -0.513 . . . . 0.0 110.226 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 19.0 m . . . . . 0 N--CA 1.477 0.881 0 CA-C-O 121.083 0.468 . . . . 0.0 110.676 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . . . . . . . . . . . -68.37 -24.47 64.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.952 -178.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -63.59 -40.11 96.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.133 0.492 . . . . 0.0 110.063 178.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -62.11 -46.76 87.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.394 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 541' ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' A' ' 545' ' ' TYR . . . -61.52 -40.08 93.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.611 176.044 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.482 ' HB3' HD21 ' A' ' 581' ' ' LEU . 0.2 OUTLIER -71.96 -48.38 45.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.92 -174.146 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . 0.493 ' CB ' HD13 ' A' ' 581' ' ' LEU . 9.7 tt0 -68.41 -38.98 81.76 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 -175.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 544' ' ' SER . . . . . . . . . . . . . 22.9 m -66.95 -37.04 83.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.175 176.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . 0.433 ' HB2' ' O ' ' A' ' 541' ' ' ALA . 2.4 t80 -64.24 -49.32 72.38 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.358 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -65.58 -41.39 92.95 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 120.965 0.412 . . . . 0.0 110.285 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -58.25 -41.53 84.44 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.633 174.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 548' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 -61.09 -49.62 76.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.998 -178.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 549' ' ' MET . . . . . 0.519 ' HG3' ' CD1' ' A' ' 599' ' ' LEU . 19.2 mmt -65.83 -43.29 88.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.347 0.594 . . . . 0.0 110.228 -179.137 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . 0.626 ' HG3' HD23 ' A' ' 571' ' ' LEU . 4.1 ttmm -59.46 -46.03 89.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.023 176.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 10.4 t -65.97 -35.85 81.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.923 179.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -63.96 -46.14 86.01 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -177.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 553' ' ' VAL . . . . . 0.794 HG11 HG11 ' A' ' 570' ' ' VAL . 34.9 m -76.73 -35.16 24.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.333 0.587 . . . . 0.0 111.059 -178.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 554' ' ' GLU . . . . . 0.595 ' HA ' ' HE3' ' A' ' 567' ' ' LYS . 0.7 OUTLIER -86.4 4.38 39.71 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.366 179.473 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 555' ' ' ASP . . . . . 0.598 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 21.4 t70 -65.04 136.86 57.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.826 175.232 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 556' ' ' GLU . . . . . 0.612 ' HA ' ' HE3' ' A' ' 559' ' ' LYS . 10.3 pt-20 -69.96 -12.05 61.33 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -174.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . . . . . . . . . . . -100.61 -36.18 4.12 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.488 -0.863 . . . . 0.0 111.304 177.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.679 ' HA ' ' HG3' ' A' ' 561' ' ' LYS . 25.3 mt -81.44 -12.17 59.0 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 179.398 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . 0.612 ' HE3' ' HA ' ' A' ' 556' ' ' GLU . 22.1 pttp -70.39 111.29 5.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.464 0.649 . . . . 0.0 109.25 173.198 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 116.02 -27.4 8.23 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 110.272 -1.131 . . . . 0.0 110.272 -171.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . 0.679 ' HG3' ' HA ' ' A' ' 558' ' ' LEU . 31.0 mmtm -75.14 -38.07 61.16 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 171.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . 0.696 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.7 tt -106.8 152.24 8.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 CA-C-N 114.82 -1.082 . . . . 0.0 109.666 177.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.15 154.64 24.19 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.626 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . 0.585 ' HB3' ' HE2' ' A' ' 568' ' ' LYS . 32.4 mt-10 -54.51 -46.06 73.42 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 120.434 0.159 . . . . 0.0 111.337 -173.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -57.63 -42.88 84.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.773 -175.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 566' ' ' ASP . . . . . 0.508 ' O ' ' HG2' ' A' ' 569' ' ' LYS . 1.6 m-20 -67.88 -48.73 65.26 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.126 0.489 . . . . 0.0 109.746 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.666 ' HG3' ' HB ' ' A' ' 553' ' ' VAL . 84.1 tttt -54.81 -48.06 73.25 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.162 -0.927 . . . . 0.0 110.927 176.17 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . 0.585 ' HE2' ' HB3' ' A' ' 564' ' ' GLU . 63.5 mttm -59.75 -50.37 74.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 569' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 0.0 OUTLIER -64.36 -43.08 95.67 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.664 -172.022 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 570' ' ' VAL . . . . . 0.794 HG11 HG11 ' A' ' 553' ' ' VAL . 13.6 p -70.31 -43.11 78.74 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.601 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.016 -179.201 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . 0.626 HD23 ' HG3' ' A' ' 550' ' ' LYS . 41.7 mt -58.47 -48.58 80.3 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.086 0.469 . . . . 0.0 110.333 177.361 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 572' ' ' ASP . . . . . 0.412 ' O ' ' HG3' ' A' ' 576' ' ' GLU . 34.1 t70 -61.1 -47.06 88.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.574 -178.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 573' ' ' LYS . . . . . 0.566 ' O ' HG12 ' A' ' 577' ' ' VAL . 44.5 tptt -64.03 -40.23 95.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.093 177.247 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 574' ' ' CYS . . . . . 0.53 ' SG ' HD21 ' A' ' 599' ' ' LEU . 97.3 m -61.73 -38.87 89.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.926 0.393 . . . . 0.0 110.114 177.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.66 -37.02 85.34 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.739 176.047 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 576' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 572' ' ' ASP . 47.8 mt-10 -59.55 -55.58 32.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.963 0.411 . . . . 0.0 110.442 177.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 577' ' ' VAL . . . . . 0.566 HG12 ' O ' ' A' ' 573' ' ' LYS . 1.5 p -66.93 -40.5 85.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.647 -179.309 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 578' ' ' ILE . . . . . 0.91 ' HA ' HD12 ' A' ' 581' ' ' LEU . 19.0 mt -61.4 -38.3 79.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.866 0.365 . . . . 0.0 111.023 178.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 24.4 m -71.72 -27.01 62.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.134 0.492 . . . . 0.0 110.509 175.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 84.9 t90 -74.36 -37.62 63.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.561 177.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 581' ' ' LEU . . . . . 0.91 HD12 ' HA ' ' A' ' 578' ' ' ILE . 34.6 mt -61.15 -40.76 95.08 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.385 176.246 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -71.29 -24.19 62.1 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.809 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -95.8 -32.32 12.75 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.846 -175.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -114.39 47.96 1.17 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.207 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.71 -19.56 59.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.628 -0.714 . . . . 0.0 111.135 178.049 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -97.07 5.99 49.36 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.265 -177.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . . . . . . . . . . . -66.09 162.03 20.46 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.999 0.428 . . . . 0.0 110.267 176.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -106.52 -177.33 3.33 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.271 177.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . 0.414 ' O ' ' HG3' ' A' ' 593' ' ' GLU . 0.0 OUTLIER -56.16 -48.27 76.62 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.329 0.862 . . . . 0.0 113.329 -165.573 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 590' ' ' ASP . . . . . 0.475 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 0.9 OUTLIER -68.63 -25.53 64.89 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 113.353 0.872 . . . . 0.0 113.353 -175.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -60.76 -45.9 92.53 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 173.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 592' ' ' PHE . . . . . 0.437 ' O ' HD21 ' A' ' 542' ' ' LEU . 92.9 m-85 -71.74 -45.71 60.86 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.517 179.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . 0.475 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 46.7 mt-10 -59.1 -40.0 83.95 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.751 0.31 . . . . 0.0 111.103 -176.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -69.21 -38.68 78.71 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.262 175.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . 0.435 ' HD3' ' HA ' ' A' ' 595' ' ' LYS . 12.6 tppt? -64.09 -35.41 80.67 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 120.899 0.38 . . . . 0.0 110.381 177.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 596' ' ' ARG . . . . . 0.66 ' O ' ' HG3' ' A' ' 600' ' ' GLU . 10.1 ttm180 -58.49 -47.64 83.43 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.273 177.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . 0.581 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 26.6 mmmt -55.98 -42.02 75.7 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.818 177.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 595' ' ' LYS . 12.8 mm-40 -59.61 -53.12 61.72 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 121.847 0.832 . . . . 0.0 111.009 178.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.64 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.4 tm? -59.05 -43.85 91.73 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 114.881 -1.054 . . . . 0.0 109.692 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . 0.66 ' HG3' ' O ' ' A' ' 596' ' ' ARG . 34.8 mt-10 -57.27 -38.14 73.46 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.353 179.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 601' ' ' GLN . . . . . 0.581 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 25.0 mt-30 -68.18 -31.83 71.65 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . 0.64 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.3 p -74.39 -38.9 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.858 178.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 603' ' ' CYS . . . . . 0.693 ' HB2' HD13 ' A' ' 607' ' ' ILE . 24.6 p -84.28 -25.93 28.97 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.375 -177.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 604' ' ' ASN . . . . . 0.623 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 23.1 t30 -49.1 -54.17 31.43 Favored Pre-proline 0 N--CA 1.474 0.727 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -176.463 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 605' ' ' PRO . . . . . 0.623 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 52.0 Cg_exo -59.17 -24.84 75.75 Favored 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 122.084 1.856 . . . . 0.0 112.45 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 606' ' ' ILE . . . . . 0.696 ' HB ' HD11 ' A' ' 562' ' ' ILE . 0.0 OUTLIER -90.61 -40.76 12.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.437 -177.901 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 607' ' ' ILE . . . . . 0.693 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.2 mp -65.37 -26.94 40.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.951 -179.112 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 8.4 t -62.68 -15.92 54.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.743 178.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -120.83 11.08 10.19 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.602 178.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 610' ' ' LEU . . . . . 0.657 HD22 HD22 ' A' ' 558' ' ' LEU . 62.1 mt . . . . . 0 C--O 1.248 0.983 0 CA-C-O 118.522 -0.751 . . . . 0.0 110.61 -178.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 537' ' ' SER . . . . . . . . . . . . . 4.6 p . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.795 0.331 . . . . 0.0 111.393 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.545 ' HB1' ' HB2' ' A' ' 592' ' ' PHE . . . -64.19 -25.34 68.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.731 -177.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 539' ' ' LYS . . . . . 0.561 ' NZ ' ' HB3' ' A' ' 581' ' ' LEU . 2.4 tmtm? -65.46 -48.78 71.49 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -59.77 -47.27 86.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.434 178.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 541' ' ' ALA . . . . . . . . . . . . . . . -59.31 -44.52 92.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.14 178.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 542' ' ' LEU . . . . . 0.7 HD21 ' HB2' ' A' ' 596' ' ' ARG . 0.2 OUTLIER -66.83 -46.9 73.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.482 -176.167 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . 0.965 ' HG3' HD13 ' A' ' 581' ' ' LEU . 4.2 tt0 -66.0 -45.44 81.54 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 120.99 -0.284 . . . . 0.0 110.691 -178.05 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 544' ' ' SER . . . . . 0.487 ' O ' ' HB2' ' A' ' 548' ' ' ASN . 9.4 t -61.81 -34.4 75.86 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 177.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . 0.48 ' O ' ' HG2' ' A' ' 549' ' ' MET . 3.5 t80 -67.62 -50.05 59.98 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 -179.319 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -66.36 -42.5 87.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.504 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 547' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -57.98 -40.06 79.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.553 175.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 548' ' ' ASN . . . . . 0.487 ' HB2' ' O ' ' A' ' 544' ' ' SER . 30.1 t-20 -65.64 -49.51 68.39 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.154 -176.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 549' ' ' MET . . . . . 0.48 ' HG2' ' O ' ' A' ' 545' ' ' TYR . 16.5 mmt -63.99 -43.53 95.43 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 121.553 0.692 . . . . 0.0 109.723 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 550' ' ' LYS . . . . . 0.619 ' HG3' HD23 ' A' ' 571' ' ' LEU . 3.4 ttmm -57.72 -46.81 83.9 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.72 -1.127 . . . . 0.0 111.306 176.001 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 551' ' ' SER . . . . . . . . . . . . . 69.0 m -65.93 -35.78 81.55 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.73 178.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -66.04 -46.1 79.03 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -177.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 553' ' ' VAL . . . . . 0.834 HG11 HG11 ' A' ' 570' ' ' VAL . 33.8 m -75.67 -31.09 22.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.468 0.651 . . . . 0.0 111.255 -178.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 554' ' ' GLU . . . . . 0.64 ' HA ' ' NZ ' ' A' ' 567' ' ' LYS . 0.1 OUTLIER -86.63 5.47 35.72 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.818 178.357 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 555' ' ' ASP . . . . . 0.435 ' HB3' ' HB2' ' A' ' 558' ' ' LEU . 31.9 t70 -76.48 129.26 36.25 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.479 174.564 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 556' ' ' GLU . . . . . 0.466 ' O ' ' HG2' ' A' ' 559' ' ' LYS . 62.5 mm-40 -71.31 -5.03 29.28 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -178.341 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 557' ' ' GLY . . . . . 0.451 ' O ' ' HE3' ' A' ' 561' ' ' LYS . . . -96.79 -30.41 7.58 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.165 -1.017 . . . . 0.0 110.789 174.583 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 558' ' ' LEU . . . . . 0.918 HD23 ' HD2' ' A' ' 561' ' ' LYS . 2.0 mt -86.95 0.55 54.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.238 -0.481 . . . . 0.0 111.431 179.137 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' ' 556' ' ' GLU . 20.9 ptmt -64.34 132.92 51.55 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 173.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 560' ' ' GLY . . . . . . . . . . . . . . . 94.31 -33.5 5.24 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.491 -0.861 . . . . 0.0 111.559 -176.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 561' ' ' LYS . . . . . 0.918 ' HD2' HD23 ' A' ' 558' ' ' LEU . 81.5 mttt -67.73 -36.77 81.19 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 176.222 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 562' ' ' ILE . . . . . 0.646 HD11 ' HB ' ' A' ' 606' ' ' ILE . 5.5 tt -113.34 148.23 16.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.572 176.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.11 143.83 47.21 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 173.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 564' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -60.14 -30.85 69.57 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.327 -175.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 565' ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.89 97.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.629 0.252 . . . . 0.0 111.129 176.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 566' ' ' ASP . . . . . 0.503 ' O ' HG12 ' A' ' 570' ' ' VAL . 3.4 m-20 -67.77 -43.66 79.3 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 177.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 567' ' ' LYS . . . . . 0.64 ' NZ ' ' HA ' ' A' ' 554' ' ' GLU . 27.8 tttp -54.05 -48.97 70.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.211 -0.904 . . . . 0.0 110.586 174.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -65.23 -46.23 81.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.711 -178.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 569' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 566' ' ' ASP . 17.7 pttt -66.24 -42.6 88.37 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.62 -0.263 . . . . 0.0 110.591 -174.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 570' ' ' VAL . . . . . 0.834 HG11 HG11 ' A' ' 553' ' ' VAL . 14.0 p -70.01 -40.25 78.33 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.84 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 571' ' ' LEU . . . . . 0.619 HD23 ' HG3' ' A' ' 550' ' ' LYS . 31.9 mt -59.03 -48.14 82.66 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.957 0.408 . . . . 0.0 110.091 176.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 572' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -62.87 -46.14 89.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.621 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 573' ' ' LYS . . . . . 0.599 ' CG ' HG11 ' A' ' 602' ' ' VAL . 50.2 tptt -62.45 -41.07 98.48 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.862 177.143 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 574' ' ' CYS . . . . . 0.446 ' SG ' HD21 ' A' ' 599' ' ' LEU . 95.5 m -61.17 -38.21 85.65 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.365 175.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 575' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -65.12 -36.64 84.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.034 175.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 576' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' ' 573' ' ' LYS . 60.8 mt-10 -58.38 -56.13 26.04 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.287 0.565 . . . . 0.0 110.829 176.407 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 577' ' ' VAL . . . . . 0.611 HG21 HD12 ' A' ' 542' ' ' LEU . 1.3 p -66.12 -39.88 85.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.414 -178.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 578' ' ' ILE . . . . . 0.936 ' HA ' HD12 ' A' ' 581' ' ' LEU . 19.2 mt -64.23 -39.21 84.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 CA-C-O 120.696 0.284 . . . . 0.0 111.643 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 36.0 p -72.12 -32.84 67.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.944 0.402 . . . . 0.0 110.465 175.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 580' ' ' TRP . . . . . . . . . . . . . 59.3 t90 -65.97 -40.88 91.63 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-O 121.583 0.706 . . . . 0.0 109.105 176.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 581' ' ' LEU . . . . . 0.965 HD13 ' HG3' ' A' ' 543' ' ' GLU . 15.8 mt -57.67 -44.29 85.63 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.34 178.123 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 582' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -69.33 -27.66 65.56 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.986 178.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 583' ' ' ALA . . . . . . . . . . . . . . . -89.32 -32.35 17.38 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.949 -175.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 584' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -112.35 57.48 0.65 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.032 -178.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 585' ' ' THR . . . . . . . . . . . . . 4.1 p -68.77 -19.62 64.33 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.628 179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 586' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -96.11 5.84 50.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.964 0.412 . . . . 0.0 110.818 -177.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 587' ' ' ALA . . . . . 0.432 ' HB1' ' HB2' ' A' ' 591' ' ' GLU . . . -65.62 153.17 42.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.737 177.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 588' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -95.51 175.5 6.54 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.385 176.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 589' ' ' LYS . . . . . 0.509 ' O ' ' HG3' ' A' ' 593' ' ' GLU . 19.2 pttp -55.56 -45.16 77.31 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -167.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 590' ' ' ASP . . . . . 0.602 ' HA ' ' HB2' ' A' ' 593' ' ' GLU . 8.5 p-10 -65.41 -26.38 67.96 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 112.532 0.568 . . . . 0.0 112.532 -175.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 591' ' ' GLU . . . . . 0.432 ' HB2' ' HB1' ' A' ' 587' ' ' ALA . 22.9 mm-40 -60.75 -43.93 97.33 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 172.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 592' ' ' PHE . . . . . 0.545 ' HB2' ' HB1' ' A' ' 538' ' ' ALA . 70.2 m-85 -70.53 -44.48 67.44 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 114.853 -1.067 . . . . 0.0 109.705 176.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 593' ' ' GLU . . . . . 0.602 ' HB2' ' HA ' ' A' ' 590' ' ' ASP . 44.1 mt-10 -60.11 -39.71 87.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.368 -176.361 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 594' ' ' HIS . . . . . 0.417 ' O ' ' HG3' ' A' ' 598' ' ' GLU . 18.2 m80 -70.45 -37.56 74.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.844 0.354 . . . . 0.0 110.464 175.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 595' ' ' LYS . . . . . 0.427 ' HA ' ' HE3' ' A' ' 595' ' ' LYS . 0.3 OUTLIER -65.15 -35.83 82.33 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.576 0.703 . . . . 0.0 109.414 177.504 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 596' ' ' ARG . . . . . 0.7 ' HB2' HD21 ' A' ' 542' ' ' LEU . 15.1 ttp85 -60.63 -40.45 91.97 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 114.675 -1.148 . . . . 0.0 109.526 178.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 597' ' ' LYS . . . . . 0.526 ' O ' ' HG3' ' A' ' 601' ' ' GLN . 48.6 mmtm -58.57 -46.69 86.37 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 115.74 -0.663 . . . . 0.0 110.278 175.513 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 598' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 594' ' ' HIS . 58.8 mt-10 -60.44 -57.25 13.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.541 -178.195 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 599' ' ' LEU . . . . . 0.673 ' O ' HG12 ' A' ' 602' ' ' VAL . 2.5 tm? -58.54 -41.69 86.13 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.76 -1.109 . . . . 0.0 109.835 -178.146 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 600' ' ' GLU . . . . . 0.578 ' HA ' ' SG ' ' A' ' 603' ' ' CYS . 25.1 tt0 -59.57 -38.63 81.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.008 179.195 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 601' ' ' GLN . . . . . 0.526 ' HG3' ' O ' ' A' ' 597' ' ' LYS . 84.2 mt-30 -69.58 -28.82 66.29 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.664 0.616 . . . . 0.0 112.664 178.179 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 602' ' ' VAL . . . . . 0.673 HG12 ' O ' ' A' ' 599' ' ' LEU . 1.4 p -75.0 -39.35 44.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.508 178.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 603' ' ' CYS . . . . . 0.674 ' HB2' HD13 ' A' ' 607' ' ' ILE . 21.4 p -83.96 -28.17 27.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.949 -177.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 604' ' ' ASN . . . . . 0.624 ' HB3' ' HD3' ' A' ' 605' ' ' PRO . 23.1 t30 -50.5 -54.35 36.12 Favored Pre-proline 0 N--CA 1.472 0.652 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -176.513 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 605' ' ' PRO . . . . . 0.624 ' HD3' ' HB3' ' A' ' 604' ' ' ASN . 45.4 Cg_exo -61.38 -20.34 67.94 Favored 'Trans proline' 0 C--N 1.355 0.899 0 C-N-CA 122.326 2.017 . . . . 0.0 112.834 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 606' ' ' ILE . . . . . 0.675 ' O ' HD13 ' A' ' 610' ' ' LEU . 0.0 OUTLIER -91.72 -41.0 12.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.23 -178.899 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 607' ' ' ILE . . . . . 0.674 HD13 ' HB2' ' A' ' 603' ' ' CYS . 1.1 mp -63.86 -17.69 20.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 C-N-CA 123.653 0.781 . . . . 0.0 112.079 -174.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 608' ' ' SER . . . . . . . . . . . . . 5.2 p -67.52 -1.4 4.92 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -178.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 609' ' ' GLY . . . . . . . . . . . . . . . -131.66 16.41 5.09 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 110.424 -1.07 . . . . 0.0 110.424 176.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 610' ' ' LEU . . . . . 0.776 ' HG ' HD22 ' A' ' 558' ' ' LEU . 10.6 mp . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.33 -0.843 . . . . 0.0 110.309 -174.083 . . . . . . . . 1 1 . 1 stop_ save_